In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2004 | 19 | Yes |
Popular Name: [(2S)-2-hydroxypropyl]-[3-[3-(trifluoromethyl)phenoxy]propyl]ammonium [(2S)-2-hydroxypropyl]-[3-[3-(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) | 2.30 | 4.14 | -45.59 | 3 | 3 | 1 | 46 | 278.294 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 2.79 | -5.73 | 2 | 3 | 0 | 41 | 277.286 | 8 | ↓ |