| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 24 | Yes |
Popular Name: (3S)-1-(2-cyanoethyl)-N-(4-isobutoxyphenyl)piperidine-3-carboxamide (3S)-1-(2-cyanoethyl)-N-(4-isobu…
| 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) | 2.56 | 9.38 | -56.4 | 2 | 5 | 1 | 67 | 330.452 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 7.16 | -13.41 | 1 | 5 | 0 | 65 | 329.444 | 7 | ↓ |
