| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 34 | Yes |
Popular Name: N'-(7-chloro-4-quinolyl)-N'-[4-(diisopropylamino)butyl]-N,N-diisopropyl-butane-1,4-diamine N'-(7-chloro-4-quinolyl)-N'-[4-(…
| 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) | 6.76 | 16.8 | -145.03 | 3 | 4 | 3 | 26 | 492.216 | 15 | ↓ |
| Hi High (pH 8-9.5) | 6.76 | 16.4 | -77.32 | 2 | 4 | 2 | 25 | 491.208 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 2550 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1314 | 0.24 | Functional ≤ 10μM |
