| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 31 | Yes |
Popular Name: 7-chloro-N-[2-[4-(7-chloro-4-quinolyl)piperazin-1-yl]ethyl]quinolin-4-amine 7-chloro-N-[2-[4-(7-chloro-4-qui…
| 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) | 5.19 | 11.51 | -175.94 | 4 | 5 | 3 | 48 | 455.413 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.19 | 8.81 | -42.63 | 2 | 5 | 1 | 46 | 453.397 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.19 | 9.57 | -10.19 | 1 | 5 | 0 | 44 | 452.389 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.19 | 9.2 | -78.16 | 3 | 5 | 2 | 47 | 454.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.19 | 11.11 | -116.17 | 3 | 5 | 2 | 47 | 454.405 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 9 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1.2 | 0.40 | Functional ≤ 10μM |
