| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2010 | 12 | Yes |
Popular Name: (2R,3R,4R,5R)-2-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol (2R,3R,4R,5R)-2-[(1S)-1-hydroxye…
| 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) | -2.26 | -8.95 | -37.39 | 6 | 5 | 1 | 98 | 178.208 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BGAL-1-E | Beta-galactosidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3400 | 0.64 | Binding ≤ 10μM |
| BGLS-1-B | Beta-glucosidase (cluster #1 Of 1), Bacterial | Bacteria | 6700 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BGAL_BOVIN | Q58D55 | Beta-galactosidase, Bovin | 3400 | 0.64 | Binding ≤ 10μM |
| BGLS_CALSA | P10482 | Beta-glucosidase A, Calsa | 6700 | 0.60 | Binding ≤ 10μM |
