| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 32 | Yes |
Popular Name: 2-isobutyl-5-[6-[4-[2-(trifluoromethyl)phenoxy]-1-piperidyl]pyridazin-3-yl]-1,3,4-oxadiazole 2-isobutyl-5-[6-[4-[2-(trifluoro…
| 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) | 3.64 | 7.31 | -16.66 | 0 | 7 | 0 | 77 | 447.461 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.64 | 7.53 | -40.94 | 1 | 7 | 1 | 78 | 448.469 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1-1-E | Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 15 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1_RAT | P07308 | Acyl-CoA Desaturase 1, Rat | 15 | 0.34 | Binding ≤ 1μM |
| ACOD1_RAT | P07308 | Acyl-CoA Desaturase 1, Rat | 15 | 0.34 | Binding ≤ 10μM |
