| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | Yes |
Popular Name: (2S)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-piperazin-1-yl-acetonitrile (2S)-2-(7-bromo-1,3-benzodioxol-…
| 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) | 1.63 | 3.47 | -51.49 | 2 | 5 | 1 | 62 | 325.186 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 2.11 | -7.87 | 1 | 5 | 0 | 58 | 324.178 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
