| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 13 | Yes |
Popular Name: (2S)-3-[4-(hydroxymethyl)-1-piperidyl]-2-methyl-propanenitrile (2S)-3-[4-(hydroxymethyl)-1-pipe…
| 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) | 1.01 | 3.75 | -46.14 | 2 | 3 | 1 | 48 | 183.275 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 1.8 | -6.52 | 1 | 3 | 0 | 47 | 182.267 | 3 | ↓ |
