Ligand Id: 1067
Ligand name GABA

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 63.32
Molecular weight 103.06
XLogP -0.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands Suppliers
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
4-Aminobutanoic acid
Synonyms
γ-amino butyric acid
4-aminobutyric acid
Aminalon
Gaballon
gamma-aminobutyric Acid
piperidic acid
piperidinic acid
Database Links
BindingDB Ligand 24183
CAS Registry No. 56-12-2 (source: NCI)
ChEBI CHEBI:16865
ChEMBL Ligand 110909
DrugBank Ligand DB02530
Human Metabolome Database HMDB00112
PubChem CID 119
RCSB PDB Ligand ABU
Search Google for chemical match using the InChIKey BTCSSZJGUNDROE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BTCSSZJGUNDROE
Wikipedia Gamma-Aminobutyric_acid
ZINC ZINC01532620

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