In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 16 | Yes |
Popular Name: 1-[(2S,3R,4R)-3,4-dihydroxytetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione 1-[(2S,3R,4R)-3,4-dihydroxytetra…
None
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) | -1.99 | -4.49 | -13.75 | 3 | 7 | 0 | 105 | 232.167 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.53 | -6.3 | -50.01 | 2 | 7 | -1 | 108 | 231.159 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0788495A2; WO1996013498A2 | IBM Patent Data |