| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (2S)-3-[(3,4-dimethylphenyl)methyl-methyl-amino]-2-methyl-propanenitrile (2S)-3-[(3,4-dimethylphenyl)meth…
| 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) | 3.10 | 9.4 | -47.1 | 1 | 2 | 1 | 28 | 217.336 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 7.36 | -5.45 | 0 | 2 | 0 | 27 | 216.328 | 4 | ↓ |
