| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 19 | Yes |
Popular Name: (3R,4S)-3-methyl-1-[1-(2-thienyl)cyclohexyl]piperidin-4-ol (3R,4S)-3-methyl-1-[1-(2-thienyl…
| 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) | 3.68 | 7.05 | -27.89 | 2 | 2 | 1 | 25 | 280.457 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 5.8 | -2.54 | 1 | 2 | 0 | 23 | 279.449 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0986555A1; WO1998055478A1 | IBM Patent Data |
