| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2005 | 22 | No |
Popular Name: 2-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-3-methyl-butanoic 2-[5-[3-(2-furyl)prop-2-enyliden…
| 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) | 2.08 | 9.61 | -59.02 | 0 | 5 | -1 | 75 | 336.414 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN22-1-E | Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1900 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN22_HUMAN | Q9Y2R2 | Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP, Human | 1900 | 0.36 | Binding ≤ 10μM |
