| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2005 | 26 | No |
Popular Name: 2-[5-[(4-benzyloxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic 2-[5-[(4-benzyloxyphenyl)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) | 2.79 | 10.5 | -57.03 | 0 | 5 | -1 | 71 | 384.458 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-2-E | Aldose Reductase (cluster #2 Of 5), Eukaryotic | Eukaryotes | 190 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_BOVIN | P16116 | Aldose Reductase, Bovin | 190 | 0.36 | Binding ≤ 1μM |
| ALDR_BOVIN | P16116 | Aldose Reductase, Bovin | 190 | 0.36 | Binding ≤ 10μM |
