| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2006 | 34 | No |
Popular Name: N'~1~,N'~6~-bis(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hexanedihydrazide N'~1~,N'~6~-bis(1-methyl-2-oxo-1…
| 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) | 2.62 | 8.12 | -23.05 | 2 | 10 | 0 | 127 | 460.494 | 7 | ↓ |
| Ref Reference (pH 7) | 2.62 | 8.02 | -28.67 | 2 | 10 | 0 | 127 | 460.494 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.44 | 4.25 | -70.23 | 1 | 10 | -1 | 137 | 459.486 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9N6S8-1-E | Falcipain 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6500 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9N6S8_PLAFA | Q9N6S8 | Falcipain 2, Plafa | 6500 | 0.21 | Binding ≤ 10μM |
