Ligand |
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| Ligand Name: 7,9-DIMETHYLGUANINE | ||
| HET ID: NDM | PubChem: 137349796 | |
| DrugBank: DB01978 | ChEMBL: - | |
| Canonical SMILES: Cn1c[n+](c2c1NC(N)NC2O)C | ||
| Standard InChI: InChI=1S/C7H14N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3,6-7,9-10,13H,8H2,1-2H3/q+1 | ||
| Molecular Formula: C7H14N5O+ | Mol. Weight: 184.21896 | Heavy Atoms: 13 |
| Charge: 1 | Is Chiral: True | logP: -0.735 |
| HBD: 4 | HBA: 5 | TPSA: 79.12 |
| #Bonds: 14 | #Rotatable Bonds: 0 | Shape Complexity: 0.5714286 |
| Stereocomplexity: 0.2857143 | Ligand Type: Small Molecule | |
Binding Affinity |
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