| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 35 | Yes |
Popular Name: N-[3-[(1R)-1-(4-hydroxy-2-oxo-chromen-3-yl)propyl]phenyl]-3-indol-1-yl-propanamide N-[3-[(1R)-1-(4-hydroxy-2-oxo-ch…
| 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) | 5.43 | 14.31 | -45.53 | 1 | 6 | -1 | 87 | 465.529 | 7 | ↓ |
| Ref Reference (pH 7) | 5.43 | 14.57 | -44.64 | 1 | 6 | -1 | 87 | 465.529 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.43 | 13.29 | -19.23 | 2 | 6 | 0 | 84 | 466.537 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.43 | 13.97 | -21.73 | 2 | 6 | 0 | 84 | 466.537 | 7 | ↓ |
| 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 | 110 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 110 | 0.28 | Binding ≤ 1μM |
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 110 | 0.28 | Binding ≤ 10μM |
