| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 11th, 2009 | 30 | Yes |
Popular Name: (2S)-2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[2-(2-methylphenoxy)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) | 4.59 | 11.03 | -54.92 | 2 | 5 | 1 | 68 | 411.566 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.59 | 9.75 | -12.31 | 1 | 5 | 0 | 64 | 410.558 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0180810A1; US4612329 | IBM Patent Data |
