| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 25 | No |
Popular Name: N'-[1-(cyanomethyl)-4-piperidyl]-N-(2-ethoxy-4-fluoro-phenyl)oxamide N'-[1-(cyanomethyl)-4-piperidyl]…
| 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) | 0.95 | 2.92 | -10.74 | 2 | 7 | 0 | 94 | 348.378 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 5.19 | -54.14 | 3 | 7 | 1 | 96 | 349.386 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
