| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 18 | Yes |
Popular Name: (3S)-3-[(6-bromo-3-hydroxy-2-pyridyl)methyl]quinuclidin-3-ol (3S)-3-[(6-bromo-3-hydroxy-2-pyr…
| 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) | 2.31 | 2.23 | -33.19 | 3 | 4 | 1 | 58 | 314.203 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 2.79 | -44.54 | 2 | 4 | 0 | 61 | 313.195 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 3.99 | -54.72 | 3 | 4 | 1 | 62 | 314.203 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000053608A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
