| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2008 | 27 | Yes |
Popular Name: 2-[(2S)-4-[(3,4-difluorophenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2S)-4-[(3,4-difluorophenyl)m…
| 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) | 2.61 | 5.09 | -42.34 | 2 | 4 | 1 | 31 | 382.519 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 5.19 | -38.4 | 2 | 4 | 1 | 31 | 382.519 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.61 | 7.33 | -108.9 | 3 | 4 | 2 | 32 | 383.527 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.61 | 7.68 | -99.09 | 3 | 4 | 2 | 32 | 383.527 | 6 | ↓ |
