In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2009 | 20 | Yes |
Popular Name: 3-[2-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]ethoxy]benzonitrile 3-[2-[(2R)-2-(2-hydroxyethyl)-1-…
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) | 2.29 | 6.17 | -42.53 | 2 | 4 | 1 | 58 | 275.372 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 3.98 | -8.74 | 1 | 4 | 0 | 56 | 274.364 | 6 | ↓ |