compound 8 [PMID: 19191557]

Ligand id: 3128

Name: compound 8 [PMID: 19191557]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 147.81
Molecular weight 473.08
XLogP 6.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-(2-benzylphenoxy)phenyl]-1-phosphonatobutane-1-sulfonate
Database Links
ChEMBL Ligand CHEMBL1205869
PubChem CID 56947052
Search Google for chemical match using the InChIKey ZMOCESLEEQXYRI-UHFFFAOYSA-K
Search Google for chemicals with the same backbone ZMOCESLEEQXYRI
Search UniChem for chemical match using the InChIKey ZMOCESLEEQXYRI-UHFFFAOYSA-K
Search UniChem for chemicals with the same backbone ZMOCESLEEQXYRI
Comments
ChEMBL represents this compound without the charges.