arcaine

Ligand id: 4137

Name: arcaine

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 128.8
Molecular weight 172.14
XLogP -1.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-{4-[(diaminomethylidene)amino]butyl}guanidine
Database Links
CAS Registry No. 544-05-8 (source: Scifinder)
ChEBI CHEBI:16652
ChEMBL Ligand CHEMBL102740
GtoPdb PubChem SID 178100959
PubChem CID 2227
Search Google for chemical match using the InChIKey HGMDNMBBCKDWTQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HGMDNMBBCKDWTQ
Search UniChem for chemical match using the InChIKey HGMDNMBBCKDWTQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HGMDNMBBCKDWTQ