Ligand id: 2810

Name: CD3254

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 57.53
Molecular weight 364.2
XLogP 8.9
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Germain P, Iyer J, Zechel C, Gronemeyer H. (2002)
Co-regulator recruitment and the mechanism of retinoic acid receptor synergy.
Nature, 415 (6868): 187-92. [PMID:11805839]
2. le Maire A, Grimaldi M, Roecklin D, Dagnino S, Vivat-Hannah V, Balaguer P, Bourguet W. (2009)
Activation of RXR-PPAR heterodimers by organotin environmental endocrine disruptors.
EMBO Rep., 10 (4): 367-73. [PMID:19270714]