| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 18 | Yes |
Popular Name: 3-[[[(1S)-1-(2-pyridyl)ethyl]amino]methyl]benzonitrile 3-[[[(1S)-1-(2-pyridyl)ethyl]ami…
| 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) | 2.02 | 7.66 | -46.31 | 2 | 3 | 1 | 53 | 238.314 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 6.37 | -7.4 | 1 | 3 | 0 | 49 | 237.306 | 4 | ↓ |
