guanidinoethane sulfonic acid

Ligand id: 5492

Name: guanidinoethane sulfonic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 124.65
Molecular weight 167.04
XLogP -1.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(diaminomethylideneazaniumyl)ethanesulfonate
Synonyms
γ-guanidino sulphonic acid
Database Links
CAS Registry No. 543-18-0 (source: Scifinder)
ChEMBL Ligand CHEMBL21832
PubChem CID 68340
RCSB PDB Ligand 3S5
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