Ligand id: 9530

Name: DU172

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 144.3
Molecular weight 519.2
XLogP 4.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Glukhova A, Thal DM, Nguyen AT, Vecchio EA, Jörg M, Scammells PJ, May LT, Sexton PM, Christopoulos A. (2017)
Structure of the Adenosine A1 Receptor Reveals the Basis for Subtype Selectivity.
Cell, 168 (5): 867-877.e13. [PMID:28235198]