| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 20 | Yes |
Popular Name: 2-[2-[[[(1S)-1-(4-pyridyl)ethyl]amino]methyl]phenoxy]acetonitrile 2-[2-[[[(1S)-1-(4-pyridyl)ethyl]…
| 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) | 1.96 | 7.17 | -46.52 | 2 | 4 | 1 | 63 | 268.34 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 6.03 | -9.84 | 1 | 4 | 0 | 58 | 267.332 | 6 | ↓ |
