| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 21 | No |
Popular Name: (E)-3-[3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-[(6-methyl-4-oxo-1H-pyr…
| 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) | 2.92 | 8.06 | -54.1 | 1 | 5 | -1 | 86 | 301.347 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 6.1 | -100.48 | 0 | 5 | -2 | 89 | 300.339 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 8.45 | -73.52 | 2 | 5 | 0 | 87 | 302.355 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
