In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 18 | Yes |
Popular Name: 2-[2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]ethoxy]ethanol 2-[2-[(7-bromo-1,3-benzodioxol-5…
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) | 1.38 | 1.53 | -48.65 | 3 | 5 | 1 | 65 | 319.175 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 0.11 | -8.97 | 2 | 5 | 0 | 60 | 318.167 | 7 | ↓ |