| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 28 | Yes |
Popular Name: N'-(7-chloro-4-quinolyl)-N'-[3-(diethylamino)propyl]-N,N-diethyl-propane-1,3-diamine N'-(7-chloro-4-quinolyl)-N'-[3-(…
| 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) | 5.04 | 14 | -157.91 | 3 | 4 | 3 | 26 | 408.054 | 13 | ↓ |
| Hi High (pH 8-9.5) | 5.04 | 13.6 | -86.57 | 2 | 4 | 2 | 25 | 407.046 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 97 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 128 | 0.34 | Functional ≤ 10μM |
