| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 18 | Yes |
Popular Name: 3-[2-[4-(cyanomethyl)phenoxy]ethyl-methyl-amino]propanenitrile 3-[2-[4-(cyanomethyl)phenoxy]eth…
| 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) | 1.45 | 6.1 | -13.41 | 0 | 4 | 0 | 60 | 243.31 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 8.5 | -54.47 | 1 | 4 | 1 | 61 | 244.318 | 7 | ↓ |
