Ligand id: 2708


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 43.52
Molecular weight 312.14
XLogP 5.53
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Bishop-Bailey D, Hla T, Warner TD. (2000)
Bisphenol A diglycidyl ether (BADGE) is a PPARgamma agonist in an ECV304 cell line.
Br. J. Pharmacol., 131 (4): 651-4. [PMID:11030710]
2. Wright HM, Clish CB, Mikami T, Hauser S, Yanagi K, Hiramatsu R, Serhan CN, Spiegelman BM. (2000)
A synthetic antagonist for the peroxisome proliferator-activated receptor gamma inhibits adipocyte differentiation.
J. Biol. Chem., 275 (3): 1873-7. [PMID:10636887]