In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 18 | Yes |
Popular Name: 1-[3-fluoro-4-(4-hydroxypyrimidin-2-yl)sulfanyl-phenyl]ethanone 1-[3-fluoro-4-(4-hydroxypyrimidi…
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) | 1.90 | 5.33 | -15.44 | 1 | 4 | 0 | 63 | 264.281 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 3.3 | -52.29 | 0 | 4 | -1 | 66 | 263.273 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 4.77 | -27.96 | 1 | 4 | 0 | 63 | 264.281 | 3 | ↓ |