| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2005 | 25 | Yes |
Popular Name: 2-[[4-(5-chloro-2-methoxy-phenyl)amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol 2-[[4-(5-chloro-2-methoxy-phenyl…
| 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) | 3.61 | 10 | -10.98 | 3 | 8 | 0 | 95 | 364.837 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 10.42 | -24.27 | 4 | 8 | 1 | 97 | 365.845 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 10.43 | -25.48 | 4 | 8 | 1 | 97 | 365.845 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM-1-E | Glucosylceramidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 870 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 320 | 0.36 | Binding ≤ 1μM |
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 320 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
