In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 18th, 2008 | 30 | Yes |
Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-diphenylethyl)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) | 4.71 | 12.03 | -41.27 | 1 | 4 | 1 | 26 | 401.53 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.71 | 12.36 | -45.93 | 1 | 4 | 1 | 26 | 401.53 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.71 | 9.98 | -7.22 | 0 | 4 | 0 | 25 | 400.522 | 6 | ↓ |