| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 25 | No |
Popular Name: N'-[1-(cyanomethyl)-4-piperidyl]-N-[4-(dimethylamino)-2-methyl-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) | 0.91 | 3.81 | -11.97 | 2 | 7 | 0 | 88 | 343.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 6.04 | -54.63 | 3 | 7 | 1 | 90 | 344.439 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 6.86 | -87.84 | 4 | 7 | 0 | 91 | 345.447 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
