In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 21 | Yes |
Popular Name: (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (1S)-1-(2,3-dihydro-1,4-benzodio…
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) | -0.46 | 3.43 | -52.79 | 3 | 5 | 1 | 59 | 293.387 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.46 | 3.14 | -5.83 | 2 | 5 | 0 | 57 | 292.379 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.46 | 5.01 | -142.7 | 4 | 5 | 2 | 60 | 294.395 | 3 | ↓ |