| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 19 | Yes |
Popular Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(5-bromo-2-thienyl)ethanamine (1S)-N-(1,3-benzodioxol-5-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) | 4.18 | 7.29 | -49.83 | 2 | 3 | 1 | 35 | 341.25 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 6.07 | -6.73 | 1 | 3 | 0 | 30 | 340.242 | 4 | ↓ |
