| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 41 | No |
Popular Name: KNI-764 KNI-764
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) | 4.05 | -5.58 | -17.64 | 4 | 8 | 0 | 119 | 575.731 | 9 | ↓ |
| Ref Reference (pH 7) | 4.30 | 5.41 | -15.13 | 4 | 8 | 0 | 126 | 575.731 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.30 | 5.07 | -47.17 | 5 | 8 | 1 | 128 | 576.739 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLM2-1-E | Plasmepsin 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.26 | Binding ≤ 10μM |
| Q72874-1-V | Human Immunodeficiency Virus Type 1 Protease (cluster #1 Of 3), Viral | Viruses | 0 | 0.00 | Binding ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 60 | 0.25 | Functional ≤ 10μM |
| Z80076-3-O | CEM-SS (T-cell Leukemia) (cluster #3 Of 5), Other | Other | 7 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 0.33 | 0.32 | Binding ≤ 1μM |
| PLM2_PLAFA | P46925 | Plasmepsin 2, Plafa | 30 | 0.26 | Binding ≤ 1μM |
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 0.33 | 0.32 | Binding ≤ 10μM |
| PLM2_PLAFA | P46925 | Plasmepsin 2, Plafa | 30 | 0.26 | Binding ≤ 10μM |
| Z80076 | Z80076 | CEM-SS (T-cell Leukemia) | 7 | 0.28 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 100 | 0.24 | Functional ≤ 10μM |
