| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2011 | 32 | No |
Popular Name: 2-methoxyethyl 2-methoxyethyl
| 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) | 2.94 | 5.24 | -10.39 | 3 | 9 | 0 | 123 | 447.532 | 14 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 3.37 | -45.11 | 2 | 9 | -1 | 129 | 446.524 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1-1-E | Calpain 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 110 | 0.30 | Binding ≤ 10μM |
| CAN2-1-E | Calpain 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAN1_HUMAN | P07384 | Calpain 1, Human | 110 | 0.30 | Binding ≤ 1μM |
| CAN2_PIG | P43367 | Calpain 2, Pig | 100 | 0.31 | Binding ≤ 1μM |
| CAN1_HUMAN | P07384 | Calpain 1, Human | 110 | 0.30 | Binding ≤ 10μM |
| CAN2_PIG | P43367 | Calpain 2, Pig | 100 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix |
