[3H]GABA   Click here for help

GtoPdb Ligand ID: 5410

PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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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 3
Topological polar surface area 63.32
Molecular weight 103.06
XLogP -0.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCCC(=O)O
Isomeric SMILES NCCCC(=O)O
InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChI Key BTCSSZJGUNDROE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-aminobutanoic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL96
DrugCentral Ligand 1262
GtoPdb PubChem SID 178102063
PubChem CID 119
RCSB PDB Ligand ABU
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Tocris
GABA
Cat. No. 0344