In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 22 | Yes |
Popular Name: (1R)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2,4-difluorophenyl)ethanamine (1R)-N-[(7-bromo-1,3-benzodioxol…
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) | 4.34 | 8.47 | -57.13 | 2 | 3 | 1 | 35 | 371.201 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.34 | 7.31 | -7.28 | 1 | 3 | 0 | 30 | 370.193 | 4 | ↓ |