compound 8f [PMID: 20615702]

Ligand id: 5793

Name: compound 8f [PMID: 20615702]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 83.8
Molecular weight 232.1
XLogP 1.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Imbriglio JE, Chang S, Liang R, Raghavan S, Schmidt D, Smenton A, Tria S, Schrader TO, Jung JK, Esser C et al.. (2010)
GPR109a agonists. Part 2: pyrazole-acids as agonists of the human orphan G-protein coupled receptor GPR109a.
Bioorg. Med. Chem. Lett., 20 (15): 4472-4. [PMID:20615702]