| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2004 | 22 | No |
Popular Name: (5Z)-5-(3,4-dihydroxybenzylidene)-3-phenyl-2-thioxo-thiazolidin-4-one (5Z)-5-(3,4-dihydroxybenzylidene…
| 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) | 2.20 | -3.6 | -14.13 | 2 | 4 | 0 | 62 | 329.402 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q965D5-1-E | Enoyl-acyl-carrier Protein Reductase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.53 | Binding ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 750 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q965D5_PLAFA | Q965D5 | Enoyl-acyl-carrier Protein Reductase, Plafa | 32 | 0.48 | Binding ≤ 1μM |
| Q965D5_PLAFA | Q965D5 | Enoyl-acyl-carrier Protein Reductase, Plafa | 32 | 0.48 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 750 | 0.39 | Functional ≤ 10μM |
