| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 20 | Yes |
Popular Name: (1S)-N-(1,3-benzodioxol-4-ylmethyl)-1-(4-bromophenyl)ethanamine (1S)-N-(1,3-benzodioxol-4-ylmeth…
| 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) | 4.13 | 8.17 | -44.85 | 2 | 3 | 1 | 35 | 335.221 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 7.03 | -6.17 | 1 | 3 | 0 | 30 | 334.213 | 4 | ↓ |
