| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2010 | 21 | Yes |
Popular Name: (2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-(4-methyl-1-piperidyl)acetonitrile (2S)-2-(4-ethoxy-3-methoxy-pheny…
| 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) | 2.88 | 9.26 | -45.14 | 1 | 4 | 1 | 47 | 289.399 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 7.32 | -7.91 | 0 | 4 | 0 | 45 | 288.391 | 5 | ↓ |
