| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 26 | Yes |
Popular Name: 6-[(2-chloro-3-fluoro-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic 6-[(2-chloro-3-fluoro-phenyl)met…
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) | 2.49 | 8.37 | -67.31 | 1 | 5 | -1 | 82 | 374.775 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 7.48 | -32.92 | 2 | 5 | 0 | 86 | 375.783 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 340 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 340 | 0.35 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
