Ligand id: 1736

Name: diquafosol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 27
Hydrogen bond donors 10
Rotatable bonds 14
Topological polar surface area 432.79
Molecular weight 789.99
XLogP -9
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Brunschweiger A, Müller CE. (2006)
P2 receptors activated by uracil nucleotides--an update.
Curr Med Chem, 13: 289-312. [PMID:16475938]
2. Pendergast W, Yerxa BR, Douglass JG, Shaver SR, Dougherty RW, Redick CC, Sims IF, Rideout JL. (2001)
Synthesis and P2Y receptor activity of a series of uridine dinucleoside 5'-polyphosphates.
Bioorg Med Chem Lett, 11: 157-160. [PMID:11206448]