In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | Yes |
Popular Name: 2-[5-[[isopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[[isopropyl(2,2,2-trifluoro…
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) | 1.63 | 2.82 | -101.66 | 4 | 5 | 2 | 71 | 282.31 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.63 | 0.3 | -7.79 | 2 | 5 | 0 | 68 | 280.294 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 0.54 | -44.53 | 3 | 5 | 1 | 70 | 281.302 | 6 | ↓ |