compound 16 [PMID: 20947351]

Ligand id: 7057

Name: compound 16 [PMID: 20947351]

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 116.76
Molecular weight 371.24
XLogP 2.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Gupta PK, Reid RC, Liu L, Lucke AJ, Broomfield SA, Andrews MR, Sweet MJ, Fairlie DP. (2010)
Inhibitors selective for HDAC6 in enzymes and cells.
Bioorg. Med. Chem. Lett., 20 (23): 7067-70. [PMID:20947351]