| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 18 | Yes |
Popular Name: (2S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methyl-propanenitrile (2S)-3-[2-(3,4-dimethoxyphenyl)e…
| 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) | 1.73 | 6.33 | -62.72 | 2 | 4 | 1 | 59 | 249.334 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 5.13 | -10.86 | 1 | 4 | 0 | 54 | 248.326 | 7 | ↓ |
