In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 21 | Yes |
Popular Name: (2S)-2-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine (2S)-2-(4-chlorophenyl)-2-[2-(tr…
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) | 3.91 | 7.67 | -53.48 | 3 | 2 | 1 | 37 | 316.73 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.91 | 7.36 | -5.36 | 2 | 2 | 0 | 35 | 315.722 | 5 | ↓ |