| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 26 | Yes |
Popular Name: N'-[3-[(7-chloro-4-quinolyl)amino]propyl]-N,N,N'-triethyl-propane-1,3-diamine N'-[3-[(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) | 4.41 | 12.38 | -166.05 | 4 | 4 | 3 | 35 | 380 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 9.8 | -47.92 | 2 | 4 | 1 | 33 | 377.984 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 9.81 | -39.92 | 2 | 4 | 1 | 33 | 377.984 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.41 | 10.23 | -89.13 | 3 | 4 | 2 | 34 | 378.992 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.41 | 10.25 | -74.22 | 3 | 4 | 2 | 34 | 378.992 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 49 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 21.2 | 0.41 | Functional ≤ 10μM |
