| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 32 | Yes |
Popular Name: N-[3-[4-[3-(diisobutylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine N-[3-[4-[3-(diisobutylamino)prop…
None
| 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) | 4.77 | 13.66 | -146.44 | 4 | 5 | 3 | 38 | 442.716 | 13 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 11.35 | -70.28 | 3 | 5 | 2 | 37 | 441.708 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.77 | 13.66 | -154.52 | 4 | 5 | 3 | 38 | 442.716 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 19 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 18.9 | 0.34 | Functional ≤ 10μM |
