In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 35 | Yes |
Popular Name: 2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine-4-carboxylic 2-[5-[ethyl(methyl)BLAHyl]-2,4-d…
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) | 3.05 | 14.73 | -57.03 | 1 | 8 | -1 | 121 | 465.489 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 12.28 | -127.03 | 0 | 8 | -2 | 124 | 464.481 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.