butyric acid

Ligand id: 1059

Name: butyric acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 37.3
Molecular weight 88.05
XLogP 0.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
butanoic acid
Synonyms
butanoic acid
butyrate
C4
Database Links
BindingDB Ligand 26109
CAS Registry No. 107-92-6 (source: DrugBank)
ChEBI CHEBI:30772
ChEMBL Ligand CHEMBL14227
DrugBank Ligand DB03568
Human Metabolome Database HMDB00039
PubChem CID 264
RCSB PDB Ligand BUA
Search Google for chemical match using the InChIKey FERIUCNNQQJTOY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FERIUCNNQQJTOY
Wikipedia Butyric_acid
Comments
Butyric acid inhibits class I and II HDACs.