ursodeoxycholic acid

Ligand id: 7104

Name: ursodeoxycholic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 77.76
Molecular weight 392.29
XLogP 6.18
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Hagey LR, Crombie DL, Espinosa E, Carey MC, Igimi H, Hofmann AF. (1993)
Ursodeoxycholic acid in the Ursidae: biliary bile acids of bears, pandas, and related carnivores.
J. Lipid Res.34 (11): 1911-7. [PMID:8263415]
2. Jackson H, Solaymani-Dodaran M, Card TR, Aithal GP, Logan R, West J. (2007)
Influence of ursodeoxycholic acid on the mortality and malignancy associated with primary biliary cirrhosis: a population-based cohort study.
Hepatology46 (4): 1131-7. [PMID:17685473]