| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 17 | Yes |
Popular Name: 4-[[ethyl(isobutyl)amino]methyl]-3-fluoro-benzonitrile 4-[[ethyl(isobutyl)amino]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) | 3.09 | 9.68 | -41.1 | 1 | 2 | 1 | 28 | 235.326 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 7.22 | -4.57 | 0 | 2 | 0 | 27 | 234.318 | 5 | ↓ |
