| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 33 | Yes |
Popular Name: 7-chloro-N-[3-[4-[3-(dibutylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine 7-chloro-N-[3-[4-[3-(dibutylamin…
None
| 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) | 6.05 | 14.12 | -154.83 | 4 | 5 | 3 | 38 | 477.161 | 15 | ↓ |
| Hi High (pH 8-9.5) | 6.05 | 11.42 | -44.46 | 2 | 5 | 1 | 36 | 475.145 | 15 | ↓ |
| Hi High (pH 8-9.5) | 6.05 | 11.82 | -76.99 | 3 | 5 | 2 | 37 | 476.153 | 15 | ↓ |
| Mid Mid (pH 6-8) | 6.05 | 14.12 | -161.88 | 4 | 5 | 3 | 38 | 477.161 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRP1-1-E | Histidine-rich Protein (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.35 | Functional ≤ 10μM |
| Z100275-1-O | Hemozoin (cluster #1 Of 1), Other | Other | 7 | 0.35 | Functional ≤ 10μM |
| Z50136-2-O | Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #2 Of 3), Other | Other | 8 | 0.34 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 8 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100275 | Z100275 | Hemozoin | 6.7 | 0.35 | Functional ≤ 10μM |
| HRP1_PLAFA | P05227 | Histidine-rich Protein, Plafa | 6.7 | 0.35 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 7.5 | 0.34 | Functional ≤ 10μM |
| Z50136 | Z50136 | Plasmodium Falciparum (isolate FcB1 / Columbia) | 7.5 | 0.34 | Functional ≤ 10μM |
