| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2005 | 26 | Yes |
Popular Name: N-(2-diethylamino-4-methyl-6-quinolyl)-4-methyl-cyclohexane-1-carboxamide N-(2-diethylamino-4-methyl-6-qui…
| 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) | 5.03 | 11.97 | -26.44 | 2 | 4 | 1 | 46 | 354.518 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.03 | 11.61 | -11.14 | 1 | 4 | 0 | 45 | 353.51 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM-1-E | Glucosylceramidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 514 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 514 | 0.34 | Binding ≤ 1μM |
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 1060 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
