dihydrolipoic acid

Ligand id: 6738

Name: dihydrolipoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 114.9
Molecular weight 208.06
XLogP 2.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Watanabe K, Ohkubo H, Niwa H, Tanikawa N, Koda N, Ito S, Ohmiya Y. (2003)
Essential 110Cys in active site of membrane-associated prostaglandin E synthase-2.
Biochem. Biophys. Res. Commun., 306 (2): 577-81. [PMID:12804604]