| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 23 | Yes |
Popular Name: N'-[2-[(7-chloro-4-quinolyl)amino]ethyl]-N,N-diethyl-propane-1,3-diamine N'-[2-[(7-chloro-4-quinolyl)amin…
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| 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) | 3.17 | 9.04 | -177.44 | 5 | 4 | 3 | 47 | 337.919 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 7.1 | -41.73 | 3 | 4 | 1 | 41 | 335.903 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 6.47 | -55.7 | 3 | 4 | 1 | 45 | 335.903 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 6.59 | -102.92 | 4 | 4 | 2 | 46 | 336.911 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 8.5 | -125.48 | 4 | 4 | 2 | 46 | 336.911 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 29 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 118 | 0.42 | Functional ≤ 10μM |
