compound 20 [PMID: 20299227]

Ligand id: 3133

Name: compound 20 [PMID: 20299227]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 10
Topological polar surface area 245.58
Molecular weight 472.01
XLogP -1.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Download 2D Structure
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel