| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 19 | Yes |
Popular Name: 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone 1-[3,5-dimethyl-4-(2-pyrrolidin-…
| 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) | 3.08 | 9.05 | -39.63 | 1 | 3 | 1 | 31 | 262.373 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 6.59 | -7.72 | 0 | 3 | 0 | 30 | 261.365 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4980361; US5055475; US5270325 | IBM Patent Data |
