| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 11th, 2010 | 21 | No |
Popular Name: (5Z)-5-[(4-phenoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one (5Z)-5-[(4-phenoxyphenyl)methyle…
| 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) | 4.04 | 5.94 | -43.45 | 0 | 3 | -1 | 45 | 312.395 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 8.03 | -9.91 | 1 | 3 | 0 | 42 | 313.403 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-4-E | Aldose Reductase (cluster #4 Of 5), Eukaryotic | Eukaryotes | 1100 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_BOVIN | P16116 | Aldose Reductase, Bovin | 1100 | 0.40 | Binding ≤ 10μM |
