| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 3rd, 2006 | 18 | No |
Popular Name: 4-benzyl-1-(2-chloropropanoyl)piperidine 4-benzyl-1-(2-chloropropanoyl)pi…
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CAS Numbers: , 260253-94-9
| 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) | 3.21 | 0.89 | -7.38 | 0 | 2 | 0 | 20 | 265.784 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDK1-3-E | Pyruvate Dehydrogenase Kinase Isoform 1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2600 | 0.43 | Binding ≤ 10μM |
| PDK2-1-E | Pyruvate Dehydrogenase Kinase Isoform 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2600 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDK1_RAT | Q63065 | Pyruvate Dehydrogenase Kinase Isoform 1, Rat | 2600 | 0.43 | Binding ≤ 10μM |
| PDK2_RAT | Q64536 | Pyruvate Dehydrogenase Kinase Isoform 2, Rat | 2600 | 0.43 | Binding ≤ 10μM |
