| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 24 | No |
Popular Name: (E)-1-(2,5-dimethoxyphenyl)-3-(4-quinolyl)prop-2-en-1-one (E)-1-(2,5-dimethoxyphenyl)-3-(4…
| 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) | 3.91 | 9.37 | -13.42 | 0 | 4 | 0 | 48 | 319.36 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.91 | 9.81 | -40.71 | 1 | 4 | 1 | 50 | 320.368 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7300 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 3000 | 0.32 | Functional ≤ 10μM |
