| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2008 | 22 | No |
Popular Name: 1-(3-chlorophenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione 1-(3-chlorophenyl)-5-(1H-pyrrol-…
| 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) | 2.45 | 6.85 | -44.38 | 1 | 5 | -1 | 74 | 330.776 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUS3-1-E | Dual Specificity Protein Phosphatase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3490 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUS3_HUMAN | P51452 | Dual Specificity Protein Phosphatase 3, Human | 3490 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ERKs are inactivated |
