In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2004 | 16 | No |
Popular Name: 2,3-dihydro-2'H,5'H-spiro[chromene-4,4'-imidazolidine]-2',5'-dione 2,3-dihydro-2'H,5'H-spiro[chrome…
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CAS Number: 66892-54-4
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) | 0.72 | 0.14 | -8.64 | 2 | 5 | 0 | 67 | 218.212 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 120 - 122 | Enamine Building Blocks |
MP | 120...122 | 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-2-E | Aldose Reductase (cluster #2 Of 5), Eukaryotic | Eukaryotes | 10000 | 0.44 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ALDR_BOVIN | P16116 | Aldose Reductase, Bovin | 10000 | 0.44 | Binding ≤ 10μM |