| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 20th, 2006 | 30 | No |
Popular Name: 6-hydroxy-5-(2-isopropylphenyl)sulfanyl-2,2-diphenyl-3H-pyran-4-one 6-hydroxy-5-(2-isopropylphenyl)s…
| 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) | 4.60 | 1.39 | -13.38 | 1 | 3 | 0 | 46 | 416.542 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.60 | 14.09 | -50.56 | 0 | 3 | -1 | 49 | 415.534 | 5 | ↓ |
| 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 | 23 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 23 | 0.36 | Binding ≤ 1μM |
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 23 | 0.36 | Binding ≤ 10μM |
