compound 21 [PMID: 19191557]

Ligand id: 3119

Name: compound 21 [PMID: 19191557]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 147.81
Molecular weight 401.03
XLogP 2.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-(2-fluorophenoxy)phenyl]-1-phosphonatobutane-1-sulfonate
Database Links
ChEMBL Ligand CHEMBL1208261
PubChem CID 56947054
Search Google for chemical match using the InChIKey OHYIVSIWKOMZPF-UHFFFAOYSA-K
Search Google for chemicals with the same backbone OHYIVSIWKOMZPF
Search UniChem for chemical match using the InChIKey OHYIVSIWKOMZPF-UHFFFAOYSA-K
Search UniChem for chemicals with the same backbone OHYIVSIWKOMZPF
Comments
ChEMBL represents this compound without the charges.