| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 4th, 2011 | 39 | Yes |
Popular Name: 1,3-benzodioxol-5-yl-[2-[benzyl(methyl)amino]ethyl]BLAHdione 1,3-benzodioxol-5-yl-[2-[benzyl(…
| 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) | 3.79 | 12.7 | -52.63 | 2 | 8 | 1 | 79 | 523.613 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 10.38 | -13.82 | 1 | 8 | 0 | 78 | 522.605 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7000 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 7000 | 0.19 | Functional ≤ 10μM |
