BPH-628

Ligand id: 3188

Name: BPH-628

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 154.91
Molecular weight 434.07
XLogP 5.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
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]
2. K-M Chen C, Hudock MP, Zhang Y, Guo RT, Cao R, No JH, Liang PH, Ko TP, Chang TH, Chang SC et al.. (2008)
Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation.
J. Med. Chem.51 (18): 5594-607. [PMID:18800762]