In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 20th, 2008 | 23 | No |
Popular Name: 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one 2-[(E)-2-(2,5-dimethoxyphenyl)et…
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) | 1.81 | 0.68 | -56.49 | 1 | 9 | -1 | 133 | 318.265 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.27 | -0.14 | -124.98 | 0 | 9 | -2 | 136 | 317.257 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.