| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 25 | Yes |
Popular Name: DNC009822 DNC009822
| 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) | 5.16 | 10.3 | -44.2 | 3 | 3 | 1 | 46 | 354.857 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.16 | 9.82 | -47.49 | 1 | 3 | -1 | 44 | 352.841 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.16 | 8.92 | -5.84 | 2 | 3 | 0 | 41 | 353.849 | 7 | ↓ |
| 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 | 2500 | 0.31 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 780 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q965D5_PLAFA | Q965D5 | Enoyl-acyl-carrier Protein Reductase, Plafa | 2500 | 0.31 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 750 | 0.34 | Functional ≤ 10μM |
