| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 29 | Yes |
| 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) | 3.28 | 1.63 | -11.97 | 1 | 8 | 0 | 111 | 447.916 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYSP-1-E | Cruzipain (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 1000 | 0.29 | Binding ≤ 1μM |
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 1000 | 0.29 | Binding ≤ 10μM |
