Ligand |
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| Ligand Name: 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine | ||
| HET ID: 6G0 | PubChem: 135567169 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)O)O[C@H]([C@@H]1O)n1c[n+](c2c1nc(N)[nH]c2=O)C | ||
| Standard InChI: InChI=1S/C11H19N5O17P4/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(30-10)2-29-35(23,24)32-37(27,28)33-36(25,26)31-34(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H7-,12,13,14,19,20,21,22,23,24,25,26,27,28)/p+1/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C11H20N5O17P4+ | Mol. Weight: 618.1948 | Heavy Atoms: 37 |
| Charge: 1 | Is Chiral: True | logP: -2.208 |
| HBD: 9 | HBA: 20 | TPSA: 375.86 |
| #Bonds: 44 | #Rotatable Bonds: 10 | Shape Complexity: 0.54545456 |
| Stereocomplexity: 0.6363636 | Ligand Type: Small Molecule | |
Binding Affinity |
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