Ligand |
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| Ligand Name: 3'-azido-3'-deoxythymidine | ||
| HET ID: AZZ | PubChem: 35370 | |
| DrugBank: DB00495 | ChEMBL: CHEMBL129 | |
| Canonical SMILES: OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O | ||
| Standard InChI: InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 | ||
| Molecular Formula: C10H13N5O4 | Mol. Weight: 267.24133 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: True | logP: -0.74354 |
| HBD: 2 | HBA: 6 | TPSA: 134.07 |
| #Bonds: 24 | #Rotatable Bonds: 3 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.3 | Ligand Type: Small Molecule | |
Binding Affinity |
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