| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 33 | Yes |
Popular Name: 4-methyl-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]quinolin-1-ium-6-yl]cyclohexanecarboxamide 4-methyl-N-[4-methyl-2-[4-(2-pyr…
| 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) | 4.58 | 14.42 | -33.54 | 2 | 7 | 1 | 75 | 445.591 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.58 | 14.12 | -16.48 | 1 | 7 | 0 | 74 | 444.583 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM-1-E | Glucosylceramidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 975 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 975 | 0.26 | Binding ≤ 1μM |
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 2450 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
