| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 24 | Yes |
Popular Name: 2-[[4-[(2-methoxyphenyl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol 2-[[4-[(2-methoxyphenyl)amino]-6…
None
| 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) | 2.95 | 9.48 | -11.58 | 3 | 8 | 0 | 95 | 330.392 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.95 | 9.9 | -23.55 | 4 | 8 | 1 | 97 | 331.4 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.95 | 9.91 | -24.8 | 4 | 8 | 1 | 97 | 331.4 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM-1-E | Glucosylceramidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1080 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 1080 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
