| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 21st, 2010 | 30 | Yes |
Popular Name: (2S,3S)-2-[(1R)-1-[4-chloro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-morpholine (2S,3S)-2-[(1R)-1-[4-chloro-3,5-…
| 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) | 5.77 | 9.66 | -6.04 | 1 | 3 | 0 | 30 | 453.81 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.77 | 10.99 | -47.75 | 2 | 3 | 1 | 35 | 454.818 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0734381A1; EP0734381B1; EP0748320A1; US5637699; US5691336; US5716942; US5719147; US5780467; US5872116; US5922706; US6048859; WO1995016679A1; WO1995023798A1 | IBM Patent Data |
