| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 27 | Yes |
Popular Name: 6-[(2,3-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-4-oxo-quinoline-3-carboxylic 6-[(2,3-dichlorophenyl)methyl]-1…
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) | 3.28 | 9.54 | -70.91 | 1 | 5 | -1 | 82 | 405.257 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 8.65 | -34.27 | 2 | 5 | 0 | 86 | 406.265 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 470 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 470 | 0.33 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
