| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 33 | Yes |
Popular Name: 3,4-bis(2-hydroxyethoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]benzamide 3,4-bis(2-hydroxyethoxy)-N-[5-[[…
| 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) | 3.34 | 5.58 | -25.46 | 3 | 7 | 0 | 101 | 482.48 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD-1-E | Acyl-CoA Desaturase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 16 | 0.33 | Binding ≤ 10μM |
| ACOD1-1-E | Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 22 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD_HUMAN | O00767 | Acyl-CoA Desaturase, Human | 16 | 0.33 | Binding ≤ 1μM |
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 22 | 0.32 | Binding ≤ 1μM |
| ACOD_HUMAN | O00767 | Acyl-CoA Desaturase, Human | 16 | 0.33 | Binding ≤ 10μM |
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 22 | 0.32 | Binding ≤ 10μM |
