| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2009 | 29 | Yes |
Popular Name: 2-[[4-[(7-chloro-4-quinolyl)amino]butyl-propyl-amino]methyl]benzene-1,4-diol 2-[[4-[(7-chloro-4-quinolyl)amin…
| 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) | 4.97 | 7.78 | -88.81 | 5 | 5 | 2 | 71 | 415.965 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.97 | 7.36 | -49.07 | 4 | 5 | 1 | 70 | 414.957 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 9 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 2.2 | 0.42 | Functional ≤ 10μM |
