| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 22 | 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) | 0.45 | -4.77 | -74.51 | 8 | 6 | 2 | 121 | 300.362 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRY1-1-E | Trypsin I (cluster #1 Of 5), Eukaryotic | Eukaryotes | 7300 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRY1_HUMAN | P07477 | Trypsin I, Human | 7300 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Cobalamin (Cbl, vitamin B12) transport and metabolism |
