In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 19 | Yes |
Popular Name: (1S)-N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-2-thienyl]ethanamine (1S)-N-methyl-1-[5-[4-(trifluoro…
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) | 4.77 | 8.8 | -40.1 | 2 | 1 | 1 | 17 | 286.342 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.77 | 7.51 | -3.2 | 1 | 1 | 0 | 12 | 285.334 | 4 | ↓ |