| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 38 | No |
Popular Name: benzyl benzyl
| 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) | 4.48 | 12.55 | -16.84 | 2 | 8 | 0 | 105 | 521.658 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1-1-E | Calpain 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 15 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1_HUMAN | P07384 | Calpain 1, Human | 15 | 0.29 | Binding ≤ 1μM |
| CAN1_HUMAN | P07384 | Calpain 1, Human | 15 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix |
