| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 35 | 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) | 4.61 | 9.94 | -51.62 | 2 | 8 | -1 | 121 | 479.553 | 10 | ↓ |
| Ref Reference (pH 7) | 4.61 | 10.08 | -50.84 | 2 | 8 | -1 | 121 | 479.553 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.61 | 9.47 | -24.6 | 3 | 8 | 0 | 118 | 480.561 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.61 | 8.92 | -21.88 | 3 | 8 | 0 | 118 | 480.561 | 10 | ↓ |
| 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 | 1600 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 1600 | 0.23 | Binding ≤ 10μM |
