| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 25 | Yes |
Popular Name: (3R)-N-(5-acetamido-2-ethyl-phenyl)-1-(2-cyanoethyl)piperidine-3-carboxamide (3R)-N-(5-acetamido-2-ethyl-phen…
| 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) | 1.44 | 8.24 | -62.69 | 3 | 6 | 1 | 86 | 343.451 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 6 | -16.92 | 2 | 6 | 0 | 85 | 342.443 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
