| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2010 | 20 | No |
Popular Name: (E)-3-(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (E)-3-(1,3-dimethyl-2,4-dioxo-py…
| 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) | -0.55 | 3.77 | -22.03 | 1 | 8 | 0 | 99 | 293.308 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.36 | 1.92 | -57.27 | 0 | 8 | -1 | 105 | 292.3 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
