AS94

Ligand id: 440

Name: AS94

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 145.24
Molecular weight 536.23
XLogP 1.71
No. Lipinski's rules broken 2

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]