| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: (2S)-2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-piperidyl)ethanamine (2S)-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) | 2.08 | 6.02 | -124.91 | 4 | 4 | 2 | 51 | 343.265 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 4.3 | -52.43 | 3 | 4 | 1 | 49 | 342.257 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 5.68 | -36.98 | 3 | 4 | 1 | 49 | 342.257 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
