Ligand id: 7013

Name: EI1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 86.92
Molecular weight 390.21
XLogP 4.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Qi W, Chan H, Teng L, Li L, Chuai S, Zhang R, Zeng J, Li M, Fan H, Lin Y et al.. (2012)
Selective inhibition of Ezh2 by a small molecule inhibitor blocks tumor cells proliferation.
Proc. Natl. Acad. Sci. U.S.A., 109 (52): 21360-5. [PMID:23236167]