guanidine   Click here for help

GtoPdb Ligand ID: 4783

Approved drug PDB Ligand
guanidine is an approved drug (FDA (1939))
Compound class: Metabolite
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
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Physico-chemical Properties
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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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Classification Click here for help
Compound class Metabolite
Approved drug? Yes (FDA (1939))
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
UniChem Compound Search for chemical match using the InChIKey ZRALSGWEFCBTJO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZRALSGWEFCBTJO-UHFFFAOYSA-N
Wikipedia Guanidine