| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 22 | No |
Popular Name: (E)-1-(2,5-dichlorophenyl)-3-(4-quinolyl)prop-2-en-1-one (E)-1-(2,5-dichlorophenyl)-3-(4-…
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| 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) | 5.15 | 10.57 | -10.33 | 0 | 2 | 0 | 30 | 328.198 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.15 | 11 | -39.61 | 1 | 2 | 1 | 31 | 329.206 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 230 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 190 | 0.43 | Functional ≤ 10μM |
