In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 19 | No |
Popular Name: 1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-5-[(E)-2-iodovinyl]pyrimidine-2,4-dione 1-[(2R,3R,4S)-3,4-bis(hydroxymet…
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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 | -1.94 | -20.85 | 3 | 7 | 0 | 105 | 380.138 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.10 | -4.6 | -59.16 | 2 | 7 | -1 | 108 | 379.13 | 4 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0433898A2; EP0433898A3; US5420276; US5597824 | IBM Patent Data |