In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 19 | Yes |
Popular Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-2-(3-methyl-2-thienyl)ethanamine (2S)-2-(1,3-benzodioxol-5-yloxy)…
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) | 2.55 | 4.35 | -44.61 | 3 | 4 | 1 | 55 | 278.353 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 4.03 | -6.71 | 2 | 4 | 0 | 54 | 277.345 | 4 | ↓ |