| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 22 | Yes |
Popular Name: 4-fluoro-3-[[[1-(2-hydroxyethyl)-4-piperidyl]methyl-methyl-amino]methyl]benzonitrile 4-fluoro-3-[[[1-(2-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) | 1.76 | 8.13 | -100.65 | 3 | 4 | 2 | 53 | 307.413 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 3.78 | -7.21 | 1 | 4 | 0 | 50 | 305.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 6.1 | -35.4 | 2 | 4 | 1 | 52 | 306.405 | 6 | ↓ |
