In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 27 | Yes |
Popular Name: 6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-7-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) | 3.38 | 10.41 | -79.18 | 1 | 5 | -1 | 82 | 405.257 | 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 | 180 | 0.35 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 180 | 0.35 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.