In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2010 | 20 | No |
Popular Name: 1-(2-cyanoethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide 1-(2-cyanoethyl)-N-[(3R)-1,1-dio…
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) | -0.80 | 2.92 | -69.75 | 2 | 6 | 1 | 91 | 300.404 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.80 | 0.67 | -22.79 | 1 | 6 | 0 | 90 | 299.396 | 4 | ↓ |