| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 26 | Yes |
Popular Name: N-(4-methyl-2-morpholino-quinolin-1-ium-6-yl)cyclohexanecarboxamide N-(4-methyl-2-morpholino-quinoli…
| 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) | 4.36 | 9.19 | -30.82 | 2 | 5 | 1 | 56 | 354.474 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.36 | 8.89 | -13.58 | 1 | 5 | 0 | 54 | 353.466 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM-1-E | Glucosylceramidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 31 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 21 | 0.41 | Binding ≤ 1μM |
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 21 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
