| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 16 | No |
Popular Name: 3-[3-(2-cyanoethyl)-1-methyl-4-oxo-3-piperidyl]propanenitrile 3-[3-(2-cyanoethyl)-1-methyl-4-o…
| 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) | -0.83 | 4.91 | -15.02 | 0 | 4 | 0 | 68 | 219.288 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.83 | 6.98 | -64.94 | 1 | 4 | 1 | 69 | 220.296 | 4 | ↓ |
