| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2010 | 23 | Yes |
Popular Name: 3-[[4-[(S)-hydroxy(phenyl)methyl]-1-piperidyl]methyl]benzonitrile 3-[[4-[(S)-hydroxy(phenyl)methyl…
| 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) | 3.06 | 9.92 | -48.96 | 2 | 3 | 1 | 48 | 307.417 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 7.67 | -7.15 | 1 | 3 | 0 | 47 | 306.409 | 4 | ↓ |
