| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 10th, 2008 | 25 | No |
None
| 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) | 1.98 | -0.24 | -16.03 | 4 | 8 | 0 | 130 | 346.291 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 240 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 239.883292 | 0.37 | Binding ≤ 1μM |
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 239.883292 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
