| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 18 | Yes |
Popular Name: 4-[[[(1R)-1-(3-pyridyl)ethyl]amino]methyl]benzonitrile 4-[[[(1R)-1-(3-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) | 1.97 | 7.57 | -56.47 | 2 | 3 | 1 | 53 | 238.314 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 6.34 | -8.69 | 1 | 3 | 0 | 49 | 237.306 | 4 | ↓ |
