W146

Ligand id: 2931

Name: W146

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 122.46
Molecular weight 342.17
XLogP 3.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid
Synonyms
W 146 | W-146 | W146_02-01
Database Links
BindingDB Ligand 50324676
CAS Registry No. 909725-61-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1221649
PubChem CID 6857802
RCSB PDB Ligand ML5
Search Google for chemical match using the InChIKey FWJRVGZWNDOOFH-OAHLLOKOSA-N
Search Google for chemicals with the same backbone FWJRVGZWNDOOFH
Search UniChem for chemical match using the InChIKey FWJRVGZWNDOOFH-OAHLLOKOSA-N
Search UniChem for chemicals with the same backbone FWJRVGZWNDOOFH
Comments
In its hydrate form, this compound is known as ML056.