| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 36 | Yes |
Popular Name: 7-chloro-N-[3-[4-[3-[(7-chloro-4-quinolyl)amino]propoxy]butoxy]propyl]quinolin-4-amine 7-chloro-N-[3-[4-[3-[(7-chloro-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) | 6.11 | 12.05 | -72.46 | 4 | 6 | 2 | 71 | 529.512 | 15 | ↓ |
| Hi High (pH 8-9.5) | 6.11 | 11.25 | -15.94 | 2 | 6 | 0 | 68 | 527.496 | 15 | ↓ |
| Mid Mid (pH 6-8) | 6.11 | 11.65 | -41.34 | 3 | 6 | 1 | 70 | 528.504 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 22 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 21 | 0.30 | Functional ≤ 10μM |
