| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2005 | 27 | Yes |
Popular Name: 4-(4-methylpiperazin-1-yl)-2-(4-tert-butylphenyl)-quinoline 4-(4-methylpiperazin-1-yl)-2-(4-…
| 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) | 5.76 | 0.9 | -84.22 | 2 | 3 | 2 | 21 | 361.533 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50641-2-O | West Nile Virus (cluster #2 Of 2), Other | Other | 8000 | 0.26 | Functional ≤ 10μM |
| Z80040-1-O | BHK-21 (Kidney Cells) (cluster #1 Of 1), Other | Other | 8000 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80040 | Z80040 | BHK-21 (Kidney Cells) | 8000 | 0.26 | Functional ≤ 10μM |
| Z50641 | Z50641 | West Nile Virus | 8000 | 0.26 | Functional ≤ 10μM |
