| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 31 | Yes |
Popular Name: N-[3-[4-[3-(diisobutylamino)propyl]piperazin-1-yl]propyl]-1,3-benzoxazol-2-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) | 4.45 | 10.48 | -95.33 | 3 | 6 | 2 | 50 | 431.669 | 13 | ↓ |
| Hi High (pH 8-9.5) | 4.45 | 8.17 | -40.15 | 2 | 6 | 1 | 49 | 430.661 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.45 | 10.49 | -110.59 | 3 | 6 | 2 | 50 | 431.669 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 1333 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1333 | 0.27 | Functional ≤ 10μM |
