In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 31 | Yes |
Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine 1-(1,3-benzodioxol-5-ylmethyl)-4…
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) | 2.86 | 6.51 | -59.32 | 1 | 9 | 1 | 84 | 425.465 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 4.18 | -13.36 | 0 | 9 | 0 | 82 | 424.457 | 6 | ↓ |