pamidronic acid

Ligand id: 7259

Name: pamidronic acid

Abbreviated name: disodium pamidronate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 4
Topological polar surface area 180.93
Molecular weight 235
XLogP -4.66
No. Lipinski's rules broken 1

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]