Ligand id: 970

Name: (+)-AJ76

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 21.26
Molecular weight 233.18
XLogP 3.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Compound class Synthetic organic
Database Links
BindingDB Ligand 50041959
CAS Registry No. 85379-09-5 (source: Scifinder)
ChEMBL Ligand CHEMBL27441
PubChem CID 122334
Search Google for chemical match using the InChIKey YGHLYBIUVOLKCV-SMDDNHRTSA-N
Search Google for chemicals with the same backbone YGHLYBIUVOLKCV