glycine   Click here for help

GtoPdb Ligand ID: 727

PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 63.32
Molecular weight 75.03
XLogP -3.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCC(=O)O
Isomeric SMILES NCC(=O)O
InChI InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChI Key DHMQDGOQFOQNFH-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
carbonocyanidic acid
International Nonproprietary Names Click here for help
INN number INN
630 glycine
Database Links Click here for help
CAS Registry No. 56-40-6 (source: Scifinder)
ChEBI CHEBI:15428
ChEMBL Ligand CHEMBL773
DrugBank Ligand DB00145
DrugCentral Ligand 1319
GtoPdb PubChem SID 135651492
PubChem CID 750
RCSB PDB Ligand GLY
Search Google for chemical match using the InChIKey DHMQDGOQFOQNFH-UHFFFAOYSA-N
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Search PubMed clinical trials glycine
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Search UniChem for chemical match using the InChIKey DHMQDGOQFOQNFH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DHMQDGOQFOQNFH
Wikipedia Glycine

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Tocris
Glycine
Cat. No. 0219