guanidine   

GtoPdb Ligand ID: 4783

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
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Physico-chemical Properties
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
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
References
1. Tanihara Y, Masuda S, Sato T, Katsura T, Ogawa O, Inui K. (2007)
Substrate specificity of MATE1 and MATE2-K, human multidrug and toxin extrusions/H(+)-organic cation antiporters.
Biochem. Pharmacol., 74 (2): 359-71. [PMID:17509534]