PPADS

Ligand id: 1725

Name: PPADS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 276.98
Molecular weight 510.98
XLogP -1.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
BindingDB Ligand 50064802
CAS Registry No. 149017-66-3 (source: Scifinder)
ChEMBL Ligand CHEMBL69234
PubChem CID 6785391
Search Google for chemical match using the InChIKey PNFZSRRRZNXSMF-WUKNDPDISA-N
Search Google for chemicals with the same backbone PNFZSRRRZNXSMF
Search UniChem for chemical match using the InChIKey PNFZSRRRZNXSMF-WUKNDPDISA-N
Search UniChem for chemicals with the same backbone PNFZSRRRZNXSMF
Wikipedia PPADS
Comments
The structure of this ligand was drawn from the image in [1]. There is some variation in representations of the structure elsewhere, which include CID 6093163.