| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 34 | No |
Popular Name: N-[(1S,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-(pyrrolidin-1-ylmethyl)ethyl]hexadecanamide N-[(1S,2S)-2-hydroxy-2-(4-hydrox…
| 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) | 7.67 | 13.28 | -40.9 | 4 | 5 | 1 | 74 | 475.738 | 19 | ↓ |
| Hi High (pH 8-9.5) | 7.67 | 13.52 | -27.8 | 3 | 5 | 0 | 77 | 474.73 | 19 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CEGT-1-E | Ceramide Glucosyltransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 90 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CEGT_HUMAN | Q16739 | Ceramide Glucosyltransferase, Human | 90 | 0.29 | Binding ≤ 1μM |
| CEGT_HUMAN | Q16739 | Ceramide Glucosyltransferase, Human | 90 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
