Draw a Structure
CID, SMILES, InChI
Structure File
Launch
the PubChem editor to make a structure
Draw a Structure
CID, SMILES, InChI
Structure File
Draw a Structure
CID, SMILES, InChI
Structure File
Draw a Structure
CID, SMILES/SMARTS, InChI
Structure File
Launch
the PubChem editor to make a structure
Draw a Structure
CID, SMILES/SMARTS, InChI
Structure File
Draw a Structure
CID, SMILES/SMARTS, InChI
Structure File
Molecular Formula
Molecular Formula File
Molecular Formula
Molecular Formula File
Draw a Structure
CID, SMILES, InChI
Structure File
Launch
the PubChem editor to make a structure
Draw a Structure
CID, SMILES, InChI
Structure File
Draw a Structure
CID, SMILES, InChI
Structure File
Identical Structures
Similar Compounds, score >= 95%
Similar Compounds, score >= 90%
Similar Compounds, score >= 80%
Identical Structures
Similar Structures
with
same connectivity
any tautomer
same stereoisomer
same isotopical labels
same stereochemistry and isotopes
non-conflicting stereochemistry
same isotopes and non-conflicting stereoisomers
threshold >=
99%
98%
97%
96%
95%
93%
90%
85%
80%
70%
60%
Substructure
Superstructure
Substructure
Superstructure
match stereochemistry
Ignore
Exact
Relative
Nonconflicting
and
Match isotopes
Match charges
Match tautomers
Ringsystems not embedded
Single/double bonds match aromatic bonds
Chain bonds match ring bonds
Strip hydrogen
Molecular Formula with
exact stoichiometry
allow other element
Sort results by: Shape-then-feature Feature-then-shape Shape-and-feature Conformer Id
Output to: PubChem 3D Alignment Viewer NCBI Entrez Table Summary
Time Limit(seconds):
unlimited
30
60
90
300
600
3,600
Result Limit:
10
50
100
500
1,000
10,000
100,000
2,000,000
Chiral center(s) that are
Please Select
fully specified
partially specified
fully unspecified
not fully specified
not partially specified
>not fully unspecified
;
E/Z isomer(s) that are
Please Select
fully specified
partially specified
fully unspecified
not fully specified
not partially specified
not fully unspecified
From
Georganics
Active Biopharma
ChemScene
Life Technologies, Applied Biosystems, Ambion
Bhaskar Lab, Department of Zoology, Sri Venkateswara University
Meiler Lab, Vanderbilt University
Anward
Anitha, Department of Bioinformatics, Karpagam University
Chembase.cn
Acesobio
UniCarbKB
Achemica
AK Scientific, Inc. (AKSCI)
ApexBio Technology
ChemTik
EDASA Scientific Compounds June 2013
Milwaukee Institute for Drug Discovery
EMD Millipore
Kinasechem LTD
King Scientific
Egon Willighagen (Dept. of Bioinformatics - BiGCaT, Maastricht University)
Rosewachem
CEGChem
KU Outreach Library, The University of Kansas
Life Chemicals
Gregory J. Crowther
AstaTech, Inc.
VTT Technical Research Centre of Finland (CSMA)
ACT Chemical
QIAGEN
UCSF-DeRisi Lab
Mcule
cyandye llc
Arromax Pharmatech Co., Ltd
Mrinalini Singh, Department of Botany, Nirmala College
Aromalake Chemical
fcenuba
Bide Pharmatech Ltd.
Synblock Inc
Shangyu Catsyn Co., Ltd.
Fluoropharm Co.,Ltd
Barrie Walker, BARK Information Services
ChemShuttle
Bu Lab, School of Pharmaceutical Sciences, Sun Yat-Sen University
ABI Chem
SASTRA University, Quorum sensing and Peptidomimetics Laboratory
Finetech Industry Limited
Immunology Lab, Department of Biotechnology, Calicut University
Oakwood Products
ABBLIS Chemicals
Nanjing Pharmaceutical Factory
Bertin Pharma
R.Sathishkumar,Phytomatics Laboratory, Department of Bioinformatics, Bharathiar University
priyadharshini, sabarathinam, angayarkanni, murugesh, palaniswamy
Syntechem
Angene International
Reddy N Reddy Pharmaceuticals
TimTec
AmicBase - Antimicrobial Activities
Watson International Ltd
ForeChem
P.Ravikumar,M.Jeyam and G.Shalini.Biochematics Division,Dept.of Bioinformatics,Bharathiar University...
Department of Pharmacy, LMU
Insect Molecular Biology Lab, Department of Environmental Biotechnology, Bharathidasan University
GNF / Scripps Winzeler lab
S.GURUDEEBAN,T.RAMANATHAN & K.SATYAVANI, Marine Medicinal Plant Biotechnology Laboratory, Faculty of...
ChemFrog
Peterson Lab, Genentech
Department of Molecular Cell Biology, Weizmann Institute of Science
Human Metabolome Database
Amadis Chemical
ChemMol
IBM
Selleckbio
Enamine
Tox21
SLING Consortium
Apeiron Synthesis
INSERM, Institut National de la Sante et de la Recherche Medicale
zealing chemical
Beijing Advanced Technology Co, Ltd
Cayman Chemical
Therapeutic Targets Database
Fragmenta
Crystallography Open Database
AbMole Bioscience
IBCH RAS
HUMGENEX
Cancer Research UK Cambridge Research Institute
BroadPharm
Alagar Yadav, Karpagam University
Acorn PharmaTech
ten Dijke Lab, Leiden University Medical Center
Tetrahedron Scientific Inc
Adooq BioScience
Ark Pharm, Inc.
BioChemPartner
CAPOT
Aurum Pharmatech LLC
RSChem, LLC
SYNCHEM OHG
TW2Informatics
Inhibitor 2
Angene Chemical
Cambridge Crystallographic Data Centre
P3 BioSystems
SCRIPDB
chemicalize.org by ChemAxon
Apexmol
MedChemexpress MCE
Chiralblock Biosciences
Watec Laboratories
Aromsyn catalogue
SureChem
Rangan Lab, Department of Biotechnology, IIT Guwahati
AAA Chemistry
Abbott Labs
AKos Consulting & Solutions
Alinda Chemical
Alsachim
Amatye
Ambinter
Ambit Biosciences
Annker Organics
Aronis
ASINEX
Avanti Polar Lipids
BIDD
BIND
BindingDB
BioCyc
Biological Magnetic Resonance Data Bank (BMRB)
Bioprocess Technology Lab, Department of Microbiology, Bharathidasan University
Biosynth
Broad Institute
Sanford-Burnham Center for Chemical Genomics
Calbiochem
CC_PMLSC
Center for Chemical Genomics, University of Michigan
ChEBI
ChemBank
ChEMBL
ChemBlock
ChemBridge
ChemDB
ChemExper Chemical Directory
Chemical Biology Department, Max Planck Institute of Molecular Physiology
ChemIDplus
ChemSpider
Chemical Synthesis Database
Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)
CLRI (CSIR)
CMLD-BU
Columbia University Molecular Screening Center
Comparative Toxicogenomics Database
Creasyn Finechem
Diabetic Complications Screening
DiscoveryGate
Drosophila RNAi Screening Center (DRSC)
DrugBank
DTP/NCI
EMD Biosciences
Emory University Molecular Libraries Screening Center
Ennopharm
EPA DSSTox
Excenen Pharmatech
Exchemistry
Finley and King Labs, Harvard Medical School
Ganolix LifeScience
GlaxoSmithKline (GSK)
GLIDA, GPCR-Ligand Database
Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology
Hangzhou APIChem Technology
Hangzhou Trylead Chemical Technology
HDH Pharma
ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
InFarmatik
IS Chemical Technology
Isoprenoids
iThemba Pharmaceuticals
IUPHAR-DB
Jamson Pharmachem Technology
Johns Hopkins Ion Channel Center
KEGG
Kingston Chemistry
KUMGM
Laboratory of Environmental Genomics, Carolina Center for Computational Toxicology, University of No...
LeadScope
LipidMAPS
MIC Scientific
MICAD
MLSMR
MMDB
Molecular Libraries Program, Specialized Chemistry Center, University of Kansas
MOLI
MolPort
MP Biomedicals
MTDP
Nantong Baihua Bio-Pharmaceutical Co., Ltd
Nature Chemical Biology
Nature Chemistry
Nature Communications
NCGC
NextBio
NIAID
NIH Clinical Collection
NINDS Approved Drug Screening Program
NIST
NIST Chemistry WebBook
Nitric Oxide Research, National Cancer Institute (NCI)
NMMLSC
NMRShiftDB
NovoSeek
ORST SMALL MOLECULE SCREENING CENTER
PANACHE
Paul Baures
PCMD
PDSP
PENN-ABS
PennChem-GAM
PFC
ProbeDB
Prous Science Drugs of the Future
R&D; Chemicals
Selleck Chemicals
SGCOxCompounds
SGCStoCompounds
Shanghai Institute of Organic Chemistry
Shanghai Sinofluoro Scientific Company
Sigma-Aldrich
SMID
Southern Research Institute
Southern Research Specialized Biocontainment Screening Center
Specs
SRMLSC
Structural Genomics Consortium
TCI (Tokyo Chemical Industry)
The Genomics Institute of the Novartis Research Foundation (GNF)
The Scripps Research Institute Molecular Screening Center
Thermo Scientific Dharmacon RNAi Technologies
Thomson Pharma
Total TOSLab Building-Blocks
True PharmaChem
Tyger Scientific
UCLA Molecular Screening Shared Resource
UM-BBD
University of Pittsburgh Molecular Library Screening Center
UPCMLD
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Vanderbilt Specialized Chemistry Center
Vanderbilt University Medical Center
VIT University
Vitas-M Laboratory
Web of Science
xPharm
Zancheng Functional Chemicals
ZINC
Not from
Georganics
Active Biopharma
ChemScene
Life Technologies, Applied Biosystems, Ambion
Bhaskar Lab, Department of Zoology, Sri Venkateswara University
Meiler Lab, Vanderbilt University
Anward
Anitha, Department of Bioinformatics, Karpagam University
Chembase.cn
Acesobio
UniCarbKB
Achemica
AK Scientific, Inc. (AKSCI)
ApexBio Technology
ChemTik
EDASA Scientific Compounds June 2013
Milwaukee Institute for Drug Discovery
EMD Millipore
Kinasechem LTD
King Scientific
Egon Willighagen (Dept. of Bioinformatics - BiGCaT, Maastricht University)
Rosewachem
CEGChem
KU Outreach Library, The University of Kansas
Life Chemicals
Gregory J. Crowther
AstaTech, Inc.
VTT Technical Research Centre of Finland (CSMA)
ACT Chemical
QIAGEN
UCSF-DeRisi Lab
Mcule
cyandye llc
Arromax Pharmatech Co., Ltd
Mrinalini Singh, Department of Botany, Nirmala College
Aromalake Chemical
fcenuba
Bide Pharmatech Ltd.
Synblock Inc
Shangyu Catsyn Co., Ltd.
Fluoropharm Co.,Ltd
Barrie Walker, BARK Information Services
ChemShuttle
Bu Lab, School of Pharmaceutical Sciences, Sun Yat-Sen University
ABI Chem
SASTRA University, Quorum sensing and Peptidomimetics Laboratory
Finetech Industry Limited
Immunology Lab, Department of Biotechnology, Calicut University
Oakwood Products
ABBLIS Chemicals
Nanjing Pharmaceutical Factory
Bertin Pharma
R.Sathishkumar,Phytomatics Laboratory, Department of Bioinformatics, Bharathiar University
priyadharshini, sabarathinam, angayarkanni, murugesh, palaniswamy
Syntechem
Angene International
Reddy N Reddy Pharmaceuticals
TimTec
AmicBase - Antimicrobial Activities
Watson International Ltd
ForeChem
P.Ravikumar,M.Jeyam and G.Shalini.Biochematics Division,Dept.of Bioinformatics,Bharathiar University...
Department of Pharmacy, LMU
Insect Molecular Biology Lab, Department of Environmental Biotechnology, Bharathidasan University
GNF / Scripps Winzeler lab
S.GURUDEEBAN,T.RAMANATHAN & K.SATYAVANI, Marine Medicinal Plant Biotechnology Laboratory, Faculty of...
ChemFrog
Peterson Lab, Genentech
Department of Molecular Cell Biology, Weizmann Institute of Science
Human Metabolome Database
Amadis Chemical
ChemMol
IBM
Selleckbio
Enamine
Tox21
SLING Consortium
Apeiron Synthesis
INSERM, Institut National de la Sante et de la Recherche Medicale
zealing chemical
Beijing Advanced Technology Co, Ltd
Cayman Chemical
Therapeutic Targets Database
Fragmenta
Crystallography Open Database
AbMole Bioscience
IBCH RAS
HUMGENEX
Cancer Research UK Cambridge Research Institute
BroadPharm
Alagar Yadav, Karpagam University
Acorn PharmaTech
ten Dijke Lab, Leiden University Medical Center
Tetrahedron Scientific Inc
Adooq BioScience
Ark Pharm, Inc.
BioChemPartner
CAPOT
Aurum Pharmatech LLC
RSChem, LLC
SYNCHEM OHG
TW2Informatics
Inhibitor 2
Angene Chemical
Cambridge Crystallographic Data Centre
P3 BioSystems
SCRIPDB
chemicalize.org by ChemAxon
Apexmol
MedChemexpress MCE
Chiralblock Biosciences
Watec Laboratories
Aromsyn catalogue
SureChem
Rangan Lab, Department of Biotechnology, IIT Guwahati
AAA Chemistry
Abbott Labs
AKos Consulting & Solutions
Alinda Chemical
Alsachim
Amatye
Ambinter
Ambit Biosciences
Annker Organics
Aronis
ASINEX
Avanti Polar Lipids
BIDD
BIND
BindingDB
BioCyc
Biological Magnetic Resonance Data Bank (BMRB)
Bioprocess Technology Lab, Department of Microbiology, Bharathidasan University
Biosynth
Broad Institute
Sanford-Burnham Center for Chemical Genomics
Calbiochem
CC_PMLSC
Center for Chemical Genomics, University of Michigan
ChEBI
ChemBank
ChEMBL
ChemBlock
ChemBridge
ChemDB
ChemExper Chemical Directory
Chemical Biology Department, Max Planck Institute of Molecular Physiology
ChemIDplus
ChemSpider
Chemical Synthesis Database
Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)
CLRI (CSIR)
CMLD-BU
Columbia University Molecular Screening Center
Comparative Toxicogenomics Database
Creasyn Finechem
Diabetic Complications Screening
DiscoveryGate
Drosophila RNAi Screening Center (DRSC)
DrugBank
DTP/NCI
EMD Biosciences
Emory University Molecular Libraries Screening Center
Ennopharm
EPA DSSTox
Excenen Pharmatech
Exchemistry
Finley and King Labs, Harvard Medical School
Ganolix LifeScience
GlaxoSmithKline (GSK)
GLIDA, GPCR-Ligand Database
Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology
Hangzhou APIChem Technology
Hangzhou Trylead Chemical Technology
HDH Pharma
ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
InFarmatik
IS Chemical Technology
Isoprenoids
iThemba Pharmaceuticals
IUPHAR-DB
Jamson Pharmachem Technology
Johns Hopkins Ion Channel Center
KEGG
Kingston Chemistry
KUMGM
Laboratory of Environmental Genomics, Carolina Center for Computational Toxicology, University of No...
LeadScope
LipidMAPS
MIC Scientific
MICAD
MLSMR
MMDB
Molecular Libraries Program, Specialized Chemistry Center, University of Kansas
MOLI
MolPort
MP Biomedicals
MTDP
Nantong Baihua Bio-Pharmaceutical Co., Ltd
Nature Chemical Biology
Nature Chemistry
Nature Communications
NCGC
NextBio
NIAID
NIH Clinical Collection
NINDS Approved Drug Screening Program
NIST
NIST Chemistry WebBook
Nitric Oxide Research, National Cancer Institute (NCI)
NMMLSC
NMRShiftDB
NovoSeek
ORST SMALL MOLECULE SCREENING CENTER
PANACHE
Paul Baures
PCMD
PDSP
PENN-ABS
PennChem-GAM
PFC
ProbeDB
Prous Science Drugs of the Future
R&D; Chemicals
Selleck Chemicals
SGCOxCompounds
SGCStoCompounds
Shanghai Institute of Organic Chemistry
Shanghai Sinofluoro Scientific Company
Sigma-Aldrich
SMID
Southern Research Institute
Southern Research Specialized Biocontainment Screening Center
Specs
SRMLSC
Structural Genomics Consortium
TCI (Tokyo Chemical Industry)
The Genomics Institute of the Novartis Research Foundation (GNF)
The Scripps Research Institute Molecular Screening Center
Thermo Scientific Dharmacon RNAi Technologies
Thomson Pharma
Total TOSLab Building-Blocks
True PharmaChem
Tyger Scientific
UCLA Molecular Screening Shared Resource
UM-BBD
University of Pittsburgh Molecular Library Screening Center
UPCMLD
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters
Vanderbilt Specialized Chemistry Center
Vanderbilt University Medical Center
VIT University
Vitas-M Laboratory
Web of Science
xPharm
Zancheng Functional Chemicals
ZINC