| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 24 | No |
Popular Name: 3-[5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid 3-[5-(4-fluorobenzylidene)-4-oxo…
| 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) | 3.43 | 0.22 | -59.8 | 0 | 4 | -1 | 62 | 358.395 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUS22-1-E | Dual Specificity Phosphatase 22 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1300 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUS22_HUMAN | Q9NRW4 | Dual Specificity Phosphatase 22, Human | 1300 | 0.34 | Binding ≤ 10μM |
