| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2009 | 31 | No |
Popular Name: DNC013871 DNC013871
| 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) | -0.52 | -9.95 | -27.36 | 8 | 12 | 0 | 211 | 438.341 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.52 | -9.12 | -75.76 | 7 | 12 | -1 | 213 | 437.333 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.52 | -9.46 | -50.01 | 7 | 12 | -1 | 213 | 437.333 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.52 | -8.64 | -110.21 | 6 | 12 | -2 | 216 | 436.325 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3200 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 3200 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
