U0126

Ligand id: 5282

Name: U0126

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 202.26
Molecular weight 380.09
XLogP 2.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2Z,3Z)-bis({amino[(2-aminophenyl)sulfanyl]methylidene})butanedinitrile
Synonyms
U 0126 | U-0126
Database Links
CAS Registry No. 109511-58-2
ChEMBL Ligand CHEMBL34704
PubChem CID 3006531
RCSB PDB Ligand 5BM
Search Google for chemical match using the InChIKey DVEXZJFMOKTQEZ-JYFOCSDGSA-N
Search Google for chemicals with the same backbone DVEXZJFMOKTQEZ
Search UniChem for chemical match using the InChIKey DVEXZJFMOKTQEZ-JYFOCSDGSA-N
Search UniChem for chemicals with the same backbone DVEXZJFMOKTQEZ
Wikipedia U0126