| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 29 | Yes |
Popular Name: (3S)-1-(2-cyanoethyl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]piperidine-3-carboxamide (3S)-1-(2-cyanoethyl)-N-[4-(2-di…
| 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) | 1.35 | 9.41 | -102.27 | 4 | 7 | 2 | 91 | 401.555 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 7.21 | -48.07 | 3 | 7 | 1 | 90 | 400.547 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
