| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 25 | Yes |
Popular Name: 2-[4-[2-(trifluoromethyl)phenoxy]-1-piperidyl]thiazole-4-carboxamide 2-[4-[2-(trifluoromethyl)phenoxy…
| 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) | 2.34 | 5.87 | -12.79 | 2 | 5 | 0 | 68 | 371.384 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD-1-E | Acyl-CoA Desaturase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6523 | 0.29 | Binding ≤ 10μM |
| ACOD1-1-E | Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 676 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1_RAT | P07308 | Acyl-CoA Desaturase 1, Rat | 676 | 0.35 | Binding ≤ 1μM |
| ACOD_HUMAN | O00767 | Acyl-CoA Desaturase, Human | 6523 | 0.29 | Binding ≤ 10μM |
| ACOD1_RAT | P07308 | Acyl-CoA Desaturase 1, Rat | 676 | 0.35 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
