| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2010 | 16 | Yes |
Popular Name: (2S)-3-[(4-methoxyphenyl)methyl-methyl-amino]-2-methyl-propanenitrile (2S)-3-[(4-methoxyphenyl)methyl-…
| 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) | 2.33 | 7.36 | -48.2 | 1 | 3 | 1 | 37 | 219.308 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 5.29 | -9.66 | 0 | 3 | 0 | 36 | 218.3 | 5 | ↓ |
