In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 18 | Yes |
Popular Name: (1S,2R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N,2-dimethyl-butan-1-amine (1S,2R)-1-(6-bromo-2,3-dihydro-1…
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) | 3.55 | 6.57 | -38.93 | 2 | 3 | 1 | 35 | 315.231 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.55 | 5.64 | -3.97 | 1 | 3 | 0 | 30 | 314.223 | 4 | ↓ |