| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | Yes |
Popular Name: (2S)-2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-yl-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) | 1.57 | 5.34 | -123.57 | 4 | 4 | 2 | 51 | 329.238 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 4.99 | -36.96 | 3 | 4 | 1 | 49 | 328.23 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 3.26 | -47.96 | 3 | 4 | 1 | 49 | 328.23 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
