| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2008 | 15 | No |
Popular Name: 5-[(4-hydroxyphenyl)methylene]-2-thioxo-1,3-thiazolan-4-one 5-[(4-hydroxyphenyl)methylene]-2…
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CAS Number: 6339-79-3
| 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) | 1.35 | 2.29 | -9.9 | 2 | 3 | 0 | 53 | 237.305 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-2-E | Aldose Reductase (cluster #2 Of 5), Eukaryotic | Eukaryotes | 4550 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_BOVIN | P16116 | Aldose Reductase, Bovin | 4550 | 0.50 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.