| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 44 | No |
Popular Name: c1ccc(c(c1)COC[C@H]([C@H]([C@@H]([C@@H](COCc2ccccc2F)OCc3ccc(cc3)F)O)O)OCc4ccc(cc4)F)F c1ccc(c(c1)COC[C@H]([C@H]([C@@H]…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 6.31 | -0.4 | -12.2 | 2 | 6 | 0 | 77 | 614.632 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874-2-V | Human Immunodeficiency Virus Type 1 Protease (cluster #2 Of 3), Viral | Viruses | 200 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 200 | 0.21 | Binding ≤ 1μM |
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 200 | 0.21 | Binding ≤ 10μM |
