| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: (2R)-2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-acetonitrile (2R)-2-(8-bromo-2,3-dihydro-1,4-…
| 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) | 1.45 | 3.92 | -50.09 | 2 | 5 | 1 | 62 | 339.213 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 2.56 | -7.94 | 1 | 5 | 0 | 58 | 338.205 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
