In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2008 | 28 | Yes |
Popular Name: 1-(2-ethylpyrimidin-5-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridyl]methyl]methanamine 1-(2-ethylpyrimidin-5-yl)-N-[[2-…
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) | 3.12 | 6.85 | -10.18 | 1 | 5 | 0 | 60 | 388.393 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.12 | 8.91 | -116.97 | 3 | 5 | 2 | 66 | 390.409 | 8 | ↓ |