| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 35 | Yes |
Popular Name: N-phenethyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide N-phenethyl-6-[4-[2-(trifluorome…
| 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) | 3.44 | 11.83 | -19.71 | 1 | 6 | 0 | 66 | 482.506 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 12.14 | -49.93 | 2 | 6 | 1 | 67 | 483.514 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD-1-E | Acyl-CoA Desaturase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 99 | 0.28 | Binding ≤ 10μM |
| ACOD1-1-E | Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 194 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD_HUMAN | O00767 | Acyl-CoA Desaturase, Human | 99 | 0.28 | Binding ≤ 1μM |
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 194 | 0.27 | Binding ≤ 1μM |
| ACOD_HUMAN | O00767 | Acyl-CoA Desaturase, Human | 99 | 0.28 | Binding ≤ 10μM |
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 194 | 0.27 | Binding ≤ 10μM |
