In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 19 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexoxy)ethanamine (1S)-1-(1,3-benzodioxol-5-yl)-2-…
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) | 1.21 | 4.68 | -50.12 | 3 | 4 | 1 | 55 | 264.345 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 4.35 | -5.68 | 2 | 4 | 0 | 54 | 263.337 | 4 | ↓ |