dioscin

Ligand id: 840

Name: dioscin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 8
Rotatable bonds 7
Topological polar surface area 235.68
Molecular weight 868.48
XLogP 2.84
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Ondeykal JG, Herath KB, Jayasuriya H, Polishook JD, Bills GF, Dombrowski AW, Mojena M, Koch G, DiSalvo J, DeMartino J, Guan Z, Nanakorn W, Morenberg CM, Balick MJ, Stevenson DW, Slattery M, Borris RP, Singh SB. (2005)
Discovery of structurally diverse natural product antagonists of chemokine receptor CXCR3.
Mol Divers9: 123-129. [PMID:15789559]