| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 34 | Yes |
Popular Name: tert-butyl tert-butyl
| 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) | 4.34 | 9.05 | -50.46 | 2 | 8 | -1 | 121 | 465.526 | 9 | ↓ |
| Ref Reference (pH 7) | 4.34 | 9.3 | -49.43 | 2 | 8 | -1 | 121 | 465.526 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 8.04 | -23.22 | 3 | 8 | 0 | 118 | 466.534 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 8.71 | -25.8 | 3 | 8 | 0 | 118 | 466.534 | 9 | ↓ |
| 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 | 280 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 280 | 0.27 | Binding ≤ 1μM |
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 280 | 0.27 | Binding ≤ 10μM |
