| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 23 | 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) | 3.80 | 8.7 | -12.33 | 1 | 4 | 0 | 51 | 304.349 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 6.87 | -26.56 | 2 | 4 | 1 | 56 | 305.357 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 7.16 | -39.55 | 0 | 4 | -1 | 57 | 303.341 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| M3K5-1-E | Mitogen-activated Protein Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| M3K5_HUMAN | Q99683 | Mitogen-activated Protein Kinase Kinase Kinase 5, Human | 10000 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Oxidative Stress Induced Senescence |
