Ligand |
||
 | ||
| Ligand Name: 2'-deoxy-2'-fluoro-6-iodo-UMP | ||
| Ligand Type: DNA linking | ||
| Ligand ID: COVPDB1416 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1F)n1c(I)cc(=O)[nH]c1=O | ||
| Standard InChI: InChI=1S/C9H11FIN2O8P/c10-6-7(15)3(2-20-22(17,18)19)21-8(6)13-4(11)1-5(14)12-9(13)16/h1,3,6-8,15H,2H2,(H,12,14,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1 | ||
| Molecular Formula: C9H11FIN2O8P | Mol. Weight: 451.9282 | logP: -1.1531 |
| HBD: 4 | HBA: 7 | |
| #Rotatable Bonds: 4 | TPSA: 151.08 | |