diphosphoric acid

Ligand id: 3151

Name: diphosphoric acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 143.91
Molecular weight 177.94
XLogP -3.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Dunford JE, Kwaasi AA, Rogers MJ, Barnett BL, Ebetino FH, Russell RG, Oppermann U, Kavanagh KL. (2008)
Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase.
J. Med. Chem.51 (7): 2187-95. [PMID:18327899]