| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2009 | 14 | No |
Popular Name: ethyl 2-oxo-3-(pyridin-4-yl)propanoate ethyl 2-oxo-3-(pyridin-4-yl)prop…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103204-67-7 , 1311319-53-5
| 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) | 0.24 | 5.53 | -8.16 | 0 | 4 | 0 | 56 | 193.202 | 5 | ↓ |
| Ref Reference (pH 7) | 1.28 | 3.64 | -6.4 | 1 | 4 | 0 | 59 | 193.202 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 4.22 | -37.18 | 0 | 4 | -1 | 62 | 192.194 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 3.75 | -40.28 | 0 | 4 | -1 | 62 | 192.194 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.