| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 30 | No |
Popular Name: N,N'-bis[(2-hydroxyphenyl)methyleneamino]pyridine-2,6-dicarboxamide N,N'-bis[(2-hydroxyphenyl)methyl…
| 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) | 3.04 | 2.72 | -20.5 | 4 | 9 | 0 | 136 | 403.398 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 3.5 | -63.23 | 3 | 9 | -1 | 139 | 402.39 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9N6S8-2-E | Falcipain 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7000 | 0.24 | Binding ≤ 10μM |
| Z50425-9-O | Plasmodium Falciparum (cluster #9 Of 22), Other | Other | 6200 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9N6S8_PLAFA | Q9N6S8 | Falcipain 2, Plafa | 7000 | 0.24 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3700 | 0.25 | Functional ≤ 10μM |
