| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 29 | Yes |
Popular Name: N-[3-[4-[3-(benzylamino)propyl]piperazin-1-yl]propyl]-N-isobutyl-2-methyl-propan-1-amine N-[3-[4-[3-(benzylamino)propyl]p…
| 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) | 4.23 | 12.34 | -85.35 | 3 | 4 | 2 | 24 | 404.687 | 14 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 10.28 | -41.95 | 2 | 4 | 1 | 26 | 403.679 | 14 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 13.9 | -171.17 | 4 | 4 | 3 | 29 | 405.695 | 14 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 11.59 | -83.98 | 3 | 4 | 2 | 28 | 404.687 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 454 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 454 | 0.31 | Functional ≤ 10μM |
