| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2006 | 26 | Yes |
Popular Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino-hydroxy-methyl]phenyl]benzenesulfonamide N-[4-[(5-ethyl-1,3,4-thiadiazol-…
| 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) | 2.60 | 5.64 | -22.21 | 2 | 7 | 0 | 101 | 388.474 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 5.66 | -54.92 | 1 | 7 | -1 | 103 | 387.466 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM-1-E | Glucosylceramidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 70 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 103 | 0.38 | Binding ≤ 1μM |
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 103 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
