In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 20 | Yes |
Popular Name: (1S)-N-[(5-bromo-2-thienyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine (1S)-N-[(5-bromo-2-thienyl)methy…
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) | 4.85 | 8.46 | -46.35 | 2 | 2 | 1 | 26 | 363.247 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.85 | 7.32 | -5.32 | 1 | 2 | 0 | 21 | 362.239 | 6 | ↓ |