In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2009 | 16 | No |
Popular Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-1-piperazin-1-yl-ethanone 2-[(3S)-1,1-dioxothiolan-3-yl]-1…
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) | -0.87 | 0.69 | -61.73 | 2 | 5 | 1 | 71 | 247.34 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.87 | -0.6 | -18.49 | 1 | 5 | 0 | 66 | 246.332 | 2 | ↓ |