| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2010 | 34 | Yes |
Popular Name: (2S,3S)-2-benzhydryl-N-(5-isopropyl-2-methoxy-phenyl)-2-methyl-quinuclidin-3-amine (2S,3S)-2-benzhydryl-N-(5-isopro…
| 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) | 8.21 | 16.14 | -35.22 | 2 | 3 | 1 | 26 | 455.666 | 7 | ↓ |
| Hi High (pH 8-9.5) | 8.21 | 14.92 | -2.81 | 1 | 3 | 0 | 24 | 454.658 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0790825A1; US5393762; WO1992021677A1; WO1996014845A1; WO2000071107A2 | IBM Patent Data |
| PUBCHEM_PATENT_ID | WO1992021677A1 | IBM Patent Data |
