clodronic acid

Ligand id: 9605

Name: clodronic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 134.68
Molecular weight 243.89
XLogP -2.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Kato Y, Hiasa M, Ichikawa R, Hasuzawa N, Kadowaki A, Iwatsuki K, Shima K, Endo Y, Kitahara Y, Inoue T et al.. (2017)
Identification of a vesicular ATP release inhibitor for the treatment of neuropathic and inflammatory pain.
Proceedings of the National Academy of Sciences of the United States of America,  Epub ahead of print.