| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2005 | 22 | No |
| 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) | 0.88 | 3.05 | -48.56 | 2 | 7 | -1 | 111 | 313.374 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Cysteine Protease | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAPA1-2-E | Papain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2400 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PAPA1_CARPA | P00784 | Papain, Carpa | 2400 | 0.36 | Binding ≤ 10μM |
