| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2009 | 17 | Yes |
Popular Name: 3-{[(3,4-dimethoxyphenyl)methyl]amino}-2-methylpropanenitrile 3-{[(3,4-dimethoxyphenyl)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) | 1.67 | 5.56 | -60.16 | 2 | 4 | 1 | 59 | 235.307 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 4.34 | -10.19 | 1 | 4 | 0 | 54 | 234.299 | 6 | ↓ |
