In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 3rd, 2011 | 23 | Yes |
Popular Name: 2-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-piperidyl]-N,N-dimethyl-ethanamine 2-[1-[(6-bromo-2,3-dihydro-1,4-b…
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) | 3.24 | 10.58 | -88.02 | 2 | 4 | 2 | 27 | 385.346 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.24 | 8.55 | -37.42 | 1 | 4 | 1 | 26 | 384.338 | 5 | ↓ |