| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 26 | No |
Popular Name: N'-[(1E)-1-(2,4-dioxochroman-3-ylidene)ethyl]-4-methyl-benzenesulfonohydrazide N'-[(1E)-1-(2,4-dioxochroman-3-y…
| 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) | 3.05 | 5.4 | -48.62 | 1 | 7 | -1 | 112 | 371.394 | 4 | ↓ |
| Ref Reference (pH 7) | 3.05 | 5.49 | -50.49 | 1 | 7 | -1 | 112 | 371.394 | 4 | ↓ |
| Ref Reference (pH 7) | 3.05 | 5.55 | -51.06 | 1 | 7 | -1 | 112 | 371.394 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 5.73 | -136.47 | 0 | 7 | -2 | 114 | 370.386 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 5.74 | -138.14 | 0 | 7 | -2 | 114 | 370.386 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 5.79 | -136.84 | 0 | 7 | -2 | 114 | 370.386 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 5.69 | -137.52 | 0 | 7 | -2 | 114 | 370.386 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 4.49 | -20.17 | 2 | 7 | 0 | 109 | 372.402 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 4.4 | -21.71 | 2 | 7 | 0 | 109 | 372.402 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9N6S8-2-E | Falcipain 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3900 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9N6S8_PLAFA | Q9N6S8 | Falcipain 2, Plafa | 3900 | 0.29 | Binding ≤ 10μM |
