| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 20 | Yes |
Popular Name: (2R)-3-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl-ethyl-amino]-2-methyl-propanenitrile (2R)-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) | 1.44 | 5.87 | -42.41 | 3 | 5 | 1 | 73 | 276.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 4.06 | -7.47 | 2 | 5 | 0 | 72 | 275.352 | 5 | ↓ |
