| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 17 | No |
Popular Name: 6'-methoxy-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione 6'-methoxy-2',3'-dihydrospiro[im…
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CAS Number: 66892-37-3
| 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) | 0.88 | 0.71 | -11.7 | 2 | 5 | 0 | 67 | 232.239 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | -1.07 | -48.82 | 1 | 5 | -1 | 74 | 231.231 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 189 - 191 | Enamine Building Blocks |
| MP | 189...191 | 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 | 10000 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_BOVIN | P16116 | Aldose Reductase, Bovin | 10000 | 0.41 | Binding ≤ 10μM |
