| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 20 | No |
Popular Name: (E)-3-[4-[(4-hydroxypyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-[(4-hydroxypyrimidin-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) | 2.50 | 7.47 | -53.93 | 1 | 5 | -1 | 86 | 287.32 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 5.48 | -95.15 | 0 | 5 | -2 | 89 | 286.312 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 7.87 | -79.44 | 2 | 5 | 0 | 87 | 288.328 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
