In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (2S)-1-isopropoxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol (2S)-1-isopropoxy-3-[[3-(trifluo…
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) | 2.45 | 4.83 | -48.94 | 3 | 3 | 1 | 46 | 292.321 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.45 | 3.42 | -6.73 | 2 | 3 | 0 | 41 | 291.313 | 8 | ↓ |