| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2005 | 18 | Yes |
Popular Name: N-(2-hydroxyethyl)-1-methyl-4-oxo-quinoline-3-carboxamide N-(2-hydroxyethyl)-1-methyl-4-ox…
| 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) | -0.57 | 1.77 | -17.08 | 2 | 5 | 0 | 71 | 246.266 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50609-1-O | Simian Immunodeficiency Virus (cluster #1 Of 2), Other | Other | 8700 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50609 | Z50609 | Simian Immunodeficiency Virus | 8700 | 0.39 | Functional ≤ 10μM |
