Ligand |
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| Ligand Name: {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID | ||
| HET ID: 5HG | PubChem: 60172 | |
| DrugBank: DB13868 | ChEMBL: CHEMBL484 | |
| Canonical SMILES: Nc1ncnc2c1ncn2CCOCP(=O)(O)O | ||
| Standard InChI: InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16) | ||
| Molecular Formula: C8H12N5O4P | Mol. Weight: 273.18573 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 0.1415 |
| HBD: 3 | HBA: 9 | TPSA: 146.19 |
| #Bonds: 19 | #Rotatable Bonds: 5 | Shape Complexity: 0.375 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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