| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 34 | Yes |
None
| 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) | 5.29 | 11.17 | -49.16 | 0 | 7 | -1 | 115 | 479.578 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.29 | 11.17 | -16.1 | 1 | 7 | 0 | 113 | 480.586 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874-1-V | Human Immunodeficiency Virus Type 1 Protease (cluster #1 Of 3), Viral | Viruses | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 0.19 | 0.40 | Binding ≤ 1μM |
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 0.19 | 0.40 | Binding ≤ 10μM |
![5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyran-2,4-quinone](http://zinc12.docking.org/img/rings/67002.gif)
![N-[3-[(2,4-diketo-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide](http://zinc12.docking.org/img/rings/67001.gif)
