Ligand id: 7021

Name: AZ505

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 102.93
Molecular weight 576.23
XLogP 3.93
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Ferguson AD, Larsen NA, Howard T, Pollard H, Green I, Grande C, Cheung T, Garcia-Arenas R, Cowen S, Wu J et al.. (2011)
Structural basis of substrate methylation and inhibition of SMYD2.
Structure, 19 (9): 1262-73. [PMID:21782458]