| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2009 | 26 | No |
Popular Name: 2-cyano-N-[[4-[2-(4-fluoroanilino)-2-oxo-ethoxy]phenyl]methyleneamino]acetamide 2-cyano-N-[[4-[2-(4-fluoroanilin…
| 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) | 1.87 | 7.2 | -34.27 | 2 | 7 | 0 | 104 | 354.341 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9N6S8-2-E | Falcipain 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5700 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9N6S8_PLAFA | Q9N6S8 | Falcipain 2, Plafa | 5700 | 0.28 | Binding ≤ 10μM |
