In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 20 | Yes |
Popular Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-2-(4-fluoro-3-methyl-phenyl)ethanamine (2S)-2-(4-chloro-2-methyl-phenox…
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) | 3.98 | 7.98 | -54.1 | 3 | 2 | 1 | 37 | 294.777 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.98 | 7.71 | -3.49 | 2 | 2 | 0 | 35 | 293.769 | 4 | ↓ |