In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 18 | Yes |
Popular Name: (2S,6S)-1-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethyl-piperazine (2S,6S)-1-(1,3-benzodioxol-5-ylm…
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) | 1.59 | 3.29 | -43.49 | 2 | 4 | 1 | 38 | 249.334 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 2.07 | -5.22 | 1 | 4 | 0 | 34 | 248.326 | 2 | ↓ |