| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 25th, 2010 | 19 | Yes |
Popular Name: 3-[[2-cyanoethyl(isobutyl)amino]methyl]-4-fluoro-benzonitrile 3-[[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 | 8.15 | -9.24 | 0 | 3 | 0 | 51 | 259.328 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 9.95 | -54.25 | 1 | 3 | 1 | 52 | 260.336 | 6 | ↓ |
