PIBTU

Ligand id: 5246

Name: PIBTU

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 150.34
Molecular weight 282.1
XLogP 4.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2-{3-[2-(carbamimidoylsulfanyl)ethyl]phenyl}ethyl)sulfanyl]methanimidamide
Synonyms
1,3-PB-ITU
Database Links
CAS Registry No. 157254-42-7
ChEMBL Ligand CHEMBL107201
PubChem CID 1331
RCSB PDB Ligand 3BT
Search Google for chemical match using the InChIKey YEUSLPIIQGZHQB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YEUSLPIIQGZHQB
Search UniChem for chemical match using the InChIKey YEUSLPIIQGZHQB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YEUSLPIIQGZHQB