| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 29 | Yes |
Popular Name: 2-methyl-5-[6-[4-[2-(trifluoromethyl)phenoxy]-1-piperidyl]pyridazin-3-yl]-1,3,4-oxadiazole 2-methyl-5-[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) | 2.32 | 5.25 | -17.51 | 0 | 7 | 0 | 77 | 405.38 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 5.33 | -41.74 | 1 | 7 | 1 | 78 | 406.388 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1-1-E | Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1_RAT | P07308 | Acyl-CoA Desaturase 1, Rat | 6 | 0.40 | Binding ≤ 1μM |
| ACOD1_RAT | P07308 | Acyl-CoA Desaturase 1, Rat | 6 | 0.40 | Binding ≤ 10μM |
