| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2008 | 26 | No |
Popular Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-pyridyl)piperazin-1-yl]prop-2-en-1-one (E)-3-(2,3-dihydro-1,4-benzodiox…
| 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) | 2.21 | 8.99 | -41.58 | 1 | 6 | 1 | 56 | 352.414 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 8.68 | -12.9 | 0 | 6 | 0 | 55 | 351.406 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.