| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 30 | Yes |
Popular Name: N-[3-[4-[3-(diisobutylamino)propyl]piperazin-1-yl]propyl]pyridine-4-carboxamide N-[3-[4-[3-(diisobutylamino)prop…
| 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) | 2.58 | 10.5 | -100.75 | 3 | 6 | 2 | 54 | 419.658 | 13 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 8.19 | -43.19 | 2 | 6 | 1 | 53 | 418.65 | 13 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 10.51 | -115.4 | 3 | 6 | 2 | 54 | 419.658 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 1550 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1550 | 0.27 | Functional ≤ 10μM |
