AB-NECA

Ligand id: 434

Name: AB-NECA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 9
Topological polar surface area 183.75
Molecular weight 457.17
XLogP 0.47
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Linden J, Thai T, Figler H, Jin X, Robeva AS. (1999)
Characterization of human A(2B) adenosine receptors: radioligand binding, western blotting, and coupling to G(q) in human embryonic kidney 293 cells and HMC-1 mast cells.
Mol. Pharmacol.56: 705-713. [PMID:10496952]