In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 22 | Yes |
Popular Name: N-[(1S)-1-methyl-2-oxo-2-piperazin-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide N-[(1S)-1-methyl-2-oxo-2-piperaz…
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) | 0.00 | 2.08 | -55.82 | 3 | 7 | 1 | 84 | 306.342 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.00 | 0.7 | -11.62 | 2 | 7 | 0 | 80 | 305.334 | 3 | ↓ |