| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 19 | Yes |
Popular Name: 4-[[2-cyanoethyl(isobutyl)amino]methyl]-3-fluoro-benzonitrile 4-[[2-cyanoethyl(isobutyl)amino]…
| 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) | 2.17 | 8.19 | -9.96 | 0 | 3 | 0 | 51 | 259.328 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 9.94 | -56.63 | 1 | 3 | 1 | 52 | 260.336 | 6 | ↓ |
