| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 17 | Yes |
Popular Name: (3S)-3-[(3-hydroxy-2-pyridyl)methyl]quinuclidin-3-ol (3S)-3-[(3-hydroxy-2-pyridyl)met…
| 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) | 1.16 | 2.14 | -33.94 | 3 | 4 | 1 | 58 | 235.307 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 2.62 | -48.95 | 2 | 4 | 0 | 61 | 234.299 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 3.76 | -65.37 | 3 | 4 | 1 | 62 | 235.307 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000053608A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
