| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2009 | 27 | Yes |
Popular Name: 4-(2-Chlorophenoxy)-N-(3-(methylcarbamoyl)phenyl)piperidine-1-carboxamide 4-(2-Chlorophenoxy)-N-(3-(methyl…
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CAS Numbers: 1032229-33-6 , [1032229-33-6]
| 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) | 2.83 | 7.55 | -16.1 | 2 | 6 | 0 | 71 | 387.867 | 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 | 4 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 4 | 0.44 | Binding ≤ 1μM |
| ACOD1_MOUSE | P13516 | Acyl-CoA Desaturase 1, Mouse | 4 | 0.44 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.