In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2011 | 25 | Yes |
Popular Name: (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-ethoxyphenyl)methyl]-2-methyl-propan-1-amine (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) | 4.14 | 9.46 | -44.89 | 2 | 4 | 1 | 44 | 342.459 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.14 | 8.48 | -7.02 | 1 | 4 | 0 | 40 | 341.451 | 7 | ↓ |