| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 10 | Yes |
| 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) | -1.94 | -6.49 | -41.77 | 5 | 4 | 1 | 77 | 148.182 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.94 | -7.79 | -5.52 | 4 | 4 | 0 | 73 | 147.174 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM-2-E | Glucosylceramidase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9000 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 8700 | 0.71 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
