guanidine   Click here for help

GtoPdb Ligand ID: 4783

Approved drug PDB Ligand
guanidine is an approved drug (FDA (1939))
Comment: Guanidine is the functional group on the side chain of arginine (L-arginine). It is a normal product of protein metabolism and is excreted by the kidney.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 75.89
Molecular weight 59.05
XLogP -0.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NC(=N)N
Isomeric SMILES NC(=N)N
InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
InChI Key ZRALSGWEFCBTJO-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1939))
IUPAC Name Click here for help
guanidine
Database Links Click here for help
CAS Registry No. 113-00-8 (source: Scifinder)
ChEBI CHEBI:42820
ChEMBL Ligand CHEMBL821
DrugBank Ligand DB00536
DrugCentral Ligand 1344
GtoPdb PubChem SID 178101485
PubChem CID 3520
RCSB PDB Ligand GAI
Search Google for chemical match using the InChIKey ZRALSGWEFCBTJO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZRALSGWEFCBTJO
Search UniChem for chemical match using the InChIKey ZRALSGWEFCBTJO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZRALSGWEFCBTJO
Wikipedia Guanidine