| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 21 | Yes |
Popular Name: 2-[3-[2-cyanoethyl(isobutyl)amino]propoxy]benzonitrile 2-[3-[2-cyanoethyl(isobutyl)amin…
| 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) | 2.58 | 10.53 | -56.73 | 1 | 4 | 1 | 61 | 286.399 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 8.75 | -13.07 | 0 | 4 | 0 | 60 | 285.391 | 9 | ↓ |
