| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2010 | 36 | Yes |
Popular Name: (2S,3S)-2-benzhydryl-N-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-methyl-quinuclidin-3-amine (2S,3S)-2-benzhydryl-N-[2-methox…
| 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) | 7.69 | 13.82 | -37.15 | 2 | 4 | 1 | 35 | 497.581 | 8 | ↓ |
| Hi High (pH 8-9.5) | 7.69 | 12.72 | -3.51 | 1 | 4 | 0 | 34 | 496.573 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999007413A1; WO2000071107A2 | IBM Patent Data |
