| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 21 | Yes |
Popular Name: (3S)-1-(2-cyanoethyl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide (3S)-1-(2-cyanoethyl)-N-[3-(diet…
| 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) | 0.73 | 8.23 | -99.16 | 3 | 5 | 2 | 62 | 296.459 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 6 | -45.89 | 2 | 5 | 1 | 61 | 295.451 | 9 | ↓ |
