| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 11 | Yes |
Popular Name: (2R,3S,4S,5R)-2,5-dimethylolpyrrolidin-1-ium-3,4-diol (2R,3S,4S,5R)-2,5-dimethylolpyrr…
| 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) | -2.62 | -11.64 | -30.84 | 6 | 5 | 1 | 97 | 164.181 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM-2-E | Glucosylceramidase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 200 | 0.85 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 200 | 0.85 | Binding ≤ 1μM |
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 200 | 0.85 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
