2-hydroxyoctanoic acid

Ligand id: 5796

Name: 2-hydroxyoctanoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 57.53
Molecular weight 160.11
XLogP 2.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Ahmed K, Tunaru S, Langhans CD, Hanson J, Michalski CW, K├Âlker S, Jones PM, Okun JG, Offermanns S. (2009)
Deorphanization of GPR109B as a receptor for the beta-oxidation intermediate 3-OH-octanoic acid and its role in the regulation of lipolysis.
J. Biol. Chem., 284 (33): 21928-33. [PMID:19561068]