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Ligand Download |
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| Ligand Name: (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID | ||
| HET ID: 4CS | PubChem: 126041, 137208342, 6993223 | |
| DrugBank: - | ChEMBL: CHEMBL1230264 | |
| Canonical SMILES: OC(=O)[C@@H]1CCNC(=N1)C | ||
| Standard InChI: InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 | ||
| Molecular Formula: C6H10N2O2 | Mol. Weight: 142.1558 | Heavy Atoms: 10 |
| Charge: 0 | Is Chiral: True | logP: -0.3843 |
| HBD: 2 | HBA: 4 | TPSA: 61.69 |
| #Bonds: 11 | #Rotatable Bonds: 1 | Shape Complexity: 0.6666667 |
| Stereocomplexity: 0.16666667 | ||