| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 22 | No |
Popular Name: (E)-3-(2,4-difluorophenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one (E)-3-(2,4-difluorophenyl)-1-(2,…
| 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) | 3.93 | 9.24 | -14.47 | 0 | 3 | 0 | 36 | 304.292 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 6500 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1900 | 0.36 | Functional ≤ 10μM |
