| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 24 | Yes |
Popular Name: 6-[(2,3-dichlorophenyl)methyl]-1-methyl-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) | 3.64 | 11.38 | -68.09 | 0 | 4 | -1 | 62 | 361.204 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 10.3 | -46.77 | 1 | 4 | 0 | 65 | 362.212 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 450 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 450 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
