| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 32 | Yes |
Popular Name: 2-benzyl-5-[6-[4-(2-chlorophenoxy)-1-piperidyl]pyridazin-3-yl]-1,3,4-oxadiazole 2-benzyl-5-[6-[4-(2-chlorophenox…
| 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) | 4.08 | 7.3 | -13.31 | 0 | 7 | 0 | 77 | 447.926 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.08 | 7.37 | -42.83 | 1 | 7 | 1 | 78 | 448.934 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1-1-E | Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 12 | 0.35 | Binding ≤ 1μM |
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 12 | 0.35 | Binding ≤ 10μM |
