| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 16 | Yes |
Popular Name: 1-[(3S)-3-(hydroxymethyl)-1-piperidyl]cyclohexanecarbonitrile 1-[(3S)-3-(hydroxymethyl)-1-pipe…
| 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) | 2.24 | 2.37 | -7.65 | 1 | 3 | 0 | 47 | 222.332 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.24 | 4.46 | -40.89 | 2 | 3 | 1 | 48 | 223.34 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0986555A1; WO1998055478A1 | IBM Patent Data |
