Ligand Id: 1059
Ligand name butyric acid

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

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
butanoic acid
Synonyms
butanoic acidbutyric acid
butyrate
C4
Database Links
BindingDB Ligand 26109
CAS Registry No. 5434-68-4 (source: NCI), 156-54-7 (source: NCI), 107-92-6 (source: DrugBank)
ChEBI CHEBI:30772
ChEMBL Ligand 115014, 115078, 113450, 115071
DrugBank Ligand DB03568
Human Metabolome Database HMDB00039
PubChem CID 264
RCSB PDB Ligand BUA
Search on ChemSpider FERIUCNNQQJTOY-UHFFFAOYSA-N
Wikipedia Butyric_acid
ZINC ZINC00895132
iPHACE KIFYX9V7

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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