| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2005 | 27 | Yes |
Popular Name: 7-[(2-fluorophenyl)-[(4-methyl-2-pyridyl)amino]methyl]quinolin-8-ol 7-[(2-fluorophenyl)-[(4-methyl-2…
| 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) | 4.28 | 8.83 | -36.09 | 3 | 4 | 1 | 59 | 360.412 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 8.35 | -11.13 | 2 | 4 | 0 | 58 | 359.404 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 2900 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50600 | Z50600 | Vaccinia Virus | 2900 | 0.29 | Functional ≤ 10μM |
