| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 16 | No |
Popular Name: 2-Butenoic acid, 4-(4-ethyl-1-piperazinyl)-4-oxo-, methyl ester (9CI) 2-Butenoic acid, 4-(4-ethyl-1-pi…
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CAS Number: 676641-62-6
| 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) | 0.31 | 4.12 | -14.38 | 0 | 5 | 0 | 50 | 226.276 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 6.33 | -49.07 | 1 | 5 | 1 | 51 | 227.284 | 4 | ↓ |
