| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 27 | Yes |
3-[4-(2-chloro-5-fluorophenoxy)-1-piperidinyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-pyridazine
| 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) | 2.24 | 3.6 | -12.35 | 0 | 7 | 0 | 77 | 389.818 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.24 | 3.67 | -40.74 | 1 | 7 | 1 | 78 | 390.826 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1-1-E | Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 4.5 | 0.43 | Binding ≤ 1μM |
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 4.5 | 0.43 | Binding ≤ 10μM |
