| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2013 | 12 | Yes |
Popular Name: ETHYL 4-PYRIDYLACETATE ETHYL 4-PYRIDYLACETATE
Find On: PubMed — Wikipedia — Google
CAS Number: 54401-85-3
| 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) | 0.89 | 2.09 | -5.94 | 1 | 3 | 0 | 42 | 167.208 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.89 | 2.38 | -28.4 | 2 | 3 | 1 | 44 | 168.216 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.