Ligand id: 7976

Name: BPH-629

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 168.05
Molecular weight 448.05
XLogP 2.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Guo RT, Cao R, Liang PH, Ko TP, Chang TH, Hudock MP, Jeng WY, Chen CK, Zhang Y, Song Y et al.. (2007)
Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases.
Proc. Natl. Acad. Sci. U.S.A., 104 (24): 10022-7. [PMID:17535895]