creatine   Click here for help

GtoPdb Ligand ID: 4496

PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 90.41
Molecular weight 131.07
XLogP -2.4
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)CN(C(=N)N)C
Isomeric SMILES OC(=O)CN(C(=N)N)C
InChI InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
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Summary of Clinical Use Click here for help
An essential amino acid and natural substrate of the CT1 (SLC6A8) transporter, creatine is approved as a nutraceutical and is found in many sports supplements as it is believed to improve energy levels during anaerobic exercise