Ligand Id: 1593
Ligand name β-D-hydroxybutyric acid

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.53
Molecular weight 104.05
XLogP -0.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
(3R)-3-hydroxybutanoic acid
Synonyms
3-D-hydroxybutyric acid
3-hydroxybutanoic acid
3-hydroxybutyrate
β-D-hydroxybutyrate
D-3-hydroxybutyric acid
D-β-hydroxybutyrate
Database Links
CAS Registry No. 300-85-6 (source: ChEBI)
ChEBI CHEBI:20067
Human Metabolome Database HMDB00011
PubChem CID 441
RCSB PDB Ligand 3HL
Search Google for chemical match using the InChIKey WHBMMWSBFZVSSR-GSVOUGTGSA-N
Search Google for chemicals with the same backbone WHBMMWSBFZVSSR
Wikipedia Beta-Hydroxybutyric_acid
ZINC ZINC00895486

Contact us | Print | Back to top | Help