β-alanine

Ligand id: 2365

Name: β-alanine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 63.32
Molecular weight 89.05
XLogP -1.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Metabolite or derivative
IUPAC Name
3-Aminopropanoic acid
Database Links
BindingDB Ligand 50000102
CAS Registry No. 107-95-9 (source: DrugBank)
ChEBI CHEBI:16958
ChEMBL Ligand CHEMBL297569
DrugBank Ligand DB03107
GtoPdb PubChem SID 135651448
PubChem CID 239
RCSB PDB Ligand BAL
Search Google for chemical match using the InChIKey UCMIRNVEIXFBKS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UCMIRNVEIXFBKS
Search UniChem for chemical match using the InChIKey UCMIRNVEIXFBKS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UCMIRNVEIXFBKS
Wikipedia beta-Alanine