| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 22 | No |
Popular Name: (4S)-7-methoxyspiro[2,3-dihydrobenzo[h]chromene-4,5'-imidazolidine]-2',4'-dione (4S)-7-methoxyspiro[2,3-dihydrob…
| 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) | 1.89 | 2.03 | -12.29 | 2 | 6 | 0 | 77 | 298.298 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 0.23 | -47.27 | 1 | 6 | -1 | 83 | 297.29 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 100 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_BOVIN | P16116 | Aldose Reductase, Bovin | 100 | 0.45 | Binding ≤ 1μM |
| ALDR_BOVIN | P16116 | Aldose Reductase, Bovin | 100 | 0.45 | Binding ≤ 10μM |
