| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 18 | Yes |
Popular Name: (2S,5S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-piperazine (2S,5S)-1-(2,3-dihydro-1,4-benzo…
| 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) | 1.86 | 5.04 | -43.04 | 2 | 4 | 1 | 38 | 249.334 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 3.87 | -5.89 | 1 | 4 | 0 | 34 | 248.326 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
