Ligand |
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| Ligand Name: 6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione | ||
| HET ID: M1Z | PubChem: 146018693 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C1NC(=O)N=C(C1)N1CCCC1 | ||
| Standard InChI: InChI=1S/C8H11N3O2/c12-7-5-6(9-8(13)10-7)11-3-1-2-4-11/h1-5H2,(H,10,12,13) | ||
| Molecular Formula: C8H11N3O2 | Mol. Weight: 181.19183 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: False | logP: -0.1771 |
| HBD: 1 | HBA: 5 | TPSA: 61.77 |
| #Bonds: 14 | #Rotatable Bonds: 1 | Shape Complexity: 0.625 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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