| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 22 | Yes |
Popular Name: 3-Methyl-1-methylamino-3H-naphtho[1,2,3-de]quinoline-2,7-dione 3-Methyl-1-methylamino-3H-naphth…
| 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) | 3.42 | 7.94 | -12.6 | 1 | 4 | 0 | 51 | 290.322 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 4.65 | -40.77 | 0 | 4 | -1 | 57 | 289.314 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 5.26 | -29.38 | 2 | 4 | 1 | 56 | 291.33 | 0 | ↓ |
| 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 | 4700 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| M3K5_HUMAN | Q99683 | Mitogen-activated Protein Kinase Kinase Kinase 5, Human | 4700 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Oxidative Stress Induced Senescence |
