In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(3-fluoro-4-methyl-phenyl)-2-(2-fluorophenyl)ethanamine (1S)-1-(3-fluoro-4-methyl-phenyl…
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) | 1.89 | 7.94 | -40.04 | 3 | 1 | 1 | 28 | 248.296 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 7.61 | -5.17 | 2 | 1 | 0 | 26 | 247.288 | 3 | ↓ |