Ligand Id: 2365
Ligand name β-alanine

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


Summary Biological activity References Structure Similar ligands Suppliers
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
3-Aminopropanoic acid
Database Links
BindingDB Ligand 50000102
CAS Registry No. 107-95-9 (source: DrugBank)
ChEBI CHEBI:16958
ChEMBL Ligand 166033
DrugBank Ligand DB03107
Human Metabolome Database HMDB00056
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
Wikipedia beta-Alanine
ZINC ZINC04658555

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