| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 23 | Yes |
Popular Name: 4-[2-[[1-[(2S)-2-hydroxypropyl]-4-piperidyl]methylamino]ethoxy]benzonitrile 4-[2-[[1-[(2S)-2-hydroxypropyl]-…
| 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) | 1.72 | 6.68 | -108.15 | 4 | 5 | 2 | 74 | 319.449 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 5.39 | -38.89 | 3 | 5 | 1 | 70 | 318.441 | 8 | ↓ |
