Ligand Id: 1078
Ligand name saclofen

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 88.77
Molecular weight 249.02
XLogP 0.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands Suppliers
Classification
Compound class Synthetic organic
IUPAC Name
3-amino-2-(4-chlorophenyl)propane-1-sulfonic acid
Synonyms
3-amino-2-(4-chlorophenyl)-propane-1-sulfonic acid
beta-(aminomethyl)-4-chlorobenzeneethanesulfonic acid
Database Links
BindingDB Ligand 50286225
CAS Registry No. 125464-42-8 (source: Scifinder)
ChEMBL Ligand 226133
PubChem CID 122150
Search Google for chemical match using the InChIKey JYLNVJYYQQXNEK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JYLNVJYYQQXNEK
Wikipedia Saclofen
ZINC ZINC02559029

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