In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 21 | Yes |
Popular Name: (1S)-N-[(1R)-1-(5-bromo-2-thienyl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine (1S)-N-[(1R)-1-(5-bromo-2-thieny…
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) | 5.44 | 8.86 | -44.14 | 2 | 2 | 1 | 26 | 377.274 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.44 | 7.73 | -5.14 | 1 | 2 | 0 | 21 | 376.266 | 6 | ↓ |