In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 27 | Yes |
Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine 1-(1,3-benzodioxol-5-ylmethyl)-4…
None
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) | 2.96 | 6.94 | -40.09 | 1 | 6 | 1 | 45 | 371.457 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 6.87 | -43.41 | 1 | 6 | 1 | 45 | 371.457 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 4.55 | -8.6 | 0 | 6 | 0 | 43 | 370.449 | 6 | ↓ |