| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2004 | 19 | No |
Popular Name: 6'-fluoro-2',3'-dihydro-2H,5H-spiro[imidazolidine-4,4'-thiochromene]-2,5-dione 1',1'-dioxide 6'-fluoro-2',3'-dihydro-2H,5H-sp…
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CAS Number: 66892-63-5
| 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) | 0.12 | -6.95 | -14.36 | 2 | 6 | 0 | 92 | 284.268 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 294 - 296 | Enamine Building Blocks |
| MP | 294...296 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1000 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 1000 | 0.44 | Binding ≤ 1μM |
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 1000 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
No pre-computed analogs available. Try a structural similarity search.