10,10-difluoro TXA2

Ligand id: 6069

Name: 10,10-difluoro TXA2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 66.76
Molecular weight 386.23
XLogP 5.1
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Morinelli TA, Okwu AK, Mais DE, Halushka PV, John V, Chen CK, Fried J. (1989)
Difluorothromboxane A2 and stereoisomers: stable derivatives of thromboxane A2 with differential effects on platelets and blood vessels.
Proc. Natl. Acad. Sci. U.S.A.86 (14): 5600-4. [PMID:2748606]