| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 26 | No |
Popular Name: 3-[(5Z)-4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]benzoate 3-[(5Z)-4-keto-5-(4-nitrobenzyli…
| 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) | 3.22 | 0.05 | -61.82 | 0 | 7 | -1 | 107 | 385.402 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUS22-1-E | Dual Specificity Phosphatase 22 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2600 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUS22_HUMAN | Q9NRW4 | Dual Specificity Phosphatase 22, Human | 2600 | 0.30 | Binding ≤ 10μM |
