| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2011 | 22 | Yes |
Popular Name: (3S)-1-[(2-cyanophenyl)methyl]-3-methyl-N-propyl-piperidine-3-carboxamide (3S)-1-[(2-cyanophenyl)methyl]-3…
| 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) | 2.78 | 7.22 | -13.87 | 1 | 4 | 0 | 56 | 299.418 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 8.95 | -38.81 | 2 | 4 | 1 | 57 | 300.426 | 5 | ↓ |
