| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 29 | No |
Popular Name: (E)-3-(4-methoxyphenyl)-N-[5-[3-(trifluoromethyl)benzyl]thiazol-2-yl]acrylamide (E)-3-(4-methoxyphenyl)-N-[5-[3-…
| 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) | 5.65 | 2.15 | -17.25 | 1 | 4 | 0 | 51 | 418.44 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD-1-E | Acyl-CoA Desaturase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.41 | Binding ≤ 10μM |
| ACOD1-1-E | Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD_HUMAN | O00767 | Acyl-CoA Desaturase, Human | 3 | 0.41 | Binding ≤ 1μM |
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 2 | 0.42 | Binding ≤ 1μM |
| ACOD_HUMAN | O00767 | Acyl-CoA Desaturase, Human | 3 | 0.41 | Binding ≤ 10μM |
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 2 | 0.42 | Binding ≤ 10μM |
