| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 30 | Yes |
Popular Name: N-(7-chloro-4-quinolyl)-N'-[2-[(7-chloro-4-quinolyl)amino]ethyl]propane-1,3-diamine N-(7-chloro-4-quinolyl)-N'-[2-[(…
| 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) | 4.76 | 9.68 | -171.03 | 6 | 5 | 3 | 69 | 443.402 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.76 | 8.89 | -75.27 | 4 | 5 | 1 | 66 | 441.386 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.76 | 9.28 | -116.92 | 5 | 5 | 2 | 68 | 442.394 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 26 | 0.35 | Functional ≤ 10μM |
