| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 30 | Yes |
Popular Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-5-phenyl-isothiazole 3-[4-(1,3-benzodioxol-5-ylmethyl…
| 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) | 3.07 | 5.58 | -22.79 | 0 | 7 | 0 | 71 | 425.51 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 7.86 | -75.96 | 1 | 7 | 1 | 73 | 426.518 | 4 | ↓ |
