| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 19 | Yes |
Popular Name: (2S)-3-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl-methyl-amino]-2-methyl-propanenitrile (2S)-3-[(6-amino-4H-1,3-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) | 1.06 | 5.15 | -41.66 | 3 | 5 | 1 | 73 | 262.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 3.12 | -10.18 | 2 | 5 | 0 | 72 | 261.325 | 4 | ↓ |
