| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 18 | Yes |
Popular Name: 4-[[(2R)-2-[(1S)-1-hydroxyethyl]-1-piperidyl]methyl]benzonitrile 4-[[(2R)-2-[(1S)-1-hydroxyethyl]…
| 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) | 2.12 | 6.69 | -42.12 | 2 | 3 | 1 | 48 | 245.346 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 4.44 | -6.25 | 1 | 3 | 0 | 47 | 244.338 | 3 | ↓ |
