| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 11th, 2009 | 31 | Yes |
Popular Name: (2S)-2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[2-(4-methoxyphenoxy)ethylamino]pentanenitrile (2S)-2-(3,4-dimethoxyphenyl)-2-i…
| 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) | 4.25 | 9.6 | -55.62 | 2 | 6 | 1 | 77 | 427.565 | 13 | ↓ |
| Hi High (pH 8-9.5) | 4.25 | 8.2 | -13.25 | 1 | 6 | 0 | 73 | 426.557 | 13 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0180810A1; US4612329 | IBM Patent Data |
