AS95

Ligand id: 441

Name: AS95

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 156.24
Molecular weight 508.19
XLogP 0.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Varani K, Gessi S, Merighi S, Vincenzi F, Cattabriga E, Benini A, Klotz KN, Baraldi PG, Tabrizi MA, Lennan SM, Leung E, Borea PA. (2005)
Pharmacological characterization of novel adenosine ligands in recombinant and native human A2B receptors.
Biochem Pharmacol70: 1601-1612. [PMID:16219300]