| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 7th, 2006 | 11 | Yes |
Popular Name: Methyl 4-pyridinylacetate Methyl 4-pyridinylacetate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 29800-89-3 , 70199-68-7 , [29800-89-3]
| 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) | 0.69 | 4.17 | -8.52 | 0 | 3 | 0 | 39 | 151.165 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 4.45 | -34.63 | 1 | 3 | 1 | 40 | 152.173 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.