In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2010 | 20 | Yes |
Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N-ethyl-2-(1-piperidyl)ethanamine (1R)-1-(1,3-benzodioxol-5-yl)-N-…
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) | 2.88 | 6.86 | -40.6 | 2 | 4 | 1 | 35 | 277.388 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 7.93 | -127.33 | 3 | 4 | 2 | 40 | 278.396 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 6.09 | -40.21 | 2 | 4 | 1 | 38 | 277.388 | 5 | ↓ |