| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2006 | 18 | Yes |
Popular Name: 1-[2-(5-isopropyl-2-methyl-phenoxy)ethyl]pyrrolidine 1-[2-(5-isopropyl-2-methyl-pheno…
| 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) | 4.32 | 9.97 | -33.23 | 1 | 2 | 1 | 14 | 248.39 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 7.47 | -3.63 | 0 | 2 | 0 | 12 | 247.382 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0288647A1; EP0288647B1 | IBM Patent Data |
