In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | Yes |
Popular Name: 2-[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[[methyl(2,2,2-trifluoroeth…
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) | 0.96 | 1.71 | -107.83 | 4 | 5 | 2 | 71 | 254.256 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.96 | -0.9 | -7.71 | 2 | 5 | 0 | 68 | 252.24 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.96 | -0.63 | -46.14 | 3 | 5 | 1 | 70 | 253.248 | 5 | ↓ |