| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 20 | Yes |
Popular Name: 4-[3-[(3S,5R)-3,5-dimethyl-1-piperidyl]propoxy]benzonitrile 4-[3-[(3S,5R)-3,5-dimethyl-1-pip…
| 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) | 3.67 | 10.29 | -43.08 | 1 | 3 | 1 | 37 | 273.4 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000006254A2 | IBM Patent Data |
