| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 26 | Yes |
Popular Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic 6-[(3-chloro-2-fluoro-phenyl)met…
| 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) | 2.49 | 8.58 | -66.27 | 1 | 5 | -1 | 82 | 374.775 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q7ZJM1-1-V | Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral | Viruses | 24 | 0.41 | Binding ≤ 10μM |
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 80 | 0.38 | Functional ≤ 10μM |
| Z80295-8-O | MT4 (Lymphocytes) (cluster #8 Of 8), Other | Other | 76 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q7ZJM1_9HIV1 | Q7ZJM1 | Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 | 24.2 | 0.41 | Binding ≤ 1μM |
| Q7ZJM1_9HIV1 | Q7ZJM1 | Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 | 24.2 | 0.41 | Binding ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 76 | 0.38 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 76.3 | 0.38 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
