| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 32 | No |
| 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) | 0.64 | -6.91 | -31.44 | 7 | 11 | 0 | 190 | 448.38 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | -5.91 | -77.38 | 6 | 11 | -1 | 193 | 447.372 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1167 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 1166.80962 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
