bimatoprost (free acid form)

Ligand id: 1959

Name: bimatoprost (free acid form)

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 97.99
Molecular weight 388.22
XLogP 4.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Woodward DF, Krauss AH, Chen J, Gil DW, Kedzie KM, Protzman CE, Shi L, Chen R, Krauss HA, Bogardus A, Dinh HT, Wheeler LA, Andrews SW, Burk RM, Gac T, Roof MB, Garst ME, Kaplan LJ, Sachs G, Pierce KL, Regan JW, Ross RA, Chan MF. (2000)
Replacement of the carboxylic acid group of prostaglandin f(2alpha) with a hydroxyl or methoxy substituent provides biologically unique compounds.
Br J Pharmacol130: 1933-1943. [PMID:10952685]