In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(3,3-dimethylmorpholin-4-yl)-N-methyl-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) | 2.26 | 3.76 | -45.63 | 2 | 5 | 1 | 48 | 293.387 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.26 | 5.5 | -128.9 | 3 | 5 | 2 | 49 | 294.395 | 4 | ↓ |