| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 25 | No |
Popular Name: (4E)-1-(3,4-dichlorophenyl)-4-vanillylidene-pyrazolidine-3,5-quinone (4E)-1-(3,4-dichlorophenyl)-4-va…
| 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) | 2.91 | -2.37 | -11.92 | 2 | 6 | 0 | 84 | 379.199 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DYR1A-3-E | Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2500 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DYR1A_HUMAN | Q13627 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human | 2500 | 0.31 | Binding ≤ 10μM |
| DYR1A_MOUSE | Q61214 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Mouse | 2500 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G0 and Early G1 |
