| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 17 | No |
Popular Name: (4R)-6-chlorospiro[chroman-4,5'-oxazolidine]-2',4'-dione (4R)-6-chlorospiro[chroman-4,5'-…
| 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) | 1.58 | 1.68 | -8.98 | 1 | 5 | 0 | 65 | 253.641 | 0 | ↓ |
| 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 | 1000 | 0.49 | Binding ≤ 1μM |
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 1000 | 0.49 | Binding ≤ 1μM |
| ALDR_BOVIN | P16116 | Aldose Reductase, Bovin | 1000 | 0.49 | Binding ≤ 10μM |
| ALDR_HUMAN | P15121 | Aldose Reductase, Human | 1000 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
