In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2008 | 19 | No |
Popular Name: (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-(iodomethyl)tetrahydrofuran-3,4-diol (2R,3S,4S,5S)-2-(6-aminopurin-9-…
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) | 0.79 | -0.93 | -12.54 | 4 | 8 | 0 | 119 | 377.142 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.79 | -0.67 | -36.49 | 5 | 8 | 1 | 121 | 378.15 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.79 | -5.05 | -34.98 | 5 | 8 | 1 | 121 | 378.15 | 2 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0425680A1; EP0457326A1; EP0755255A1; EP0880353A1; US4485016; US5213972; US5405839; US5449664; US5728684; US5773424; US5998423; WO1996018398A1 | IBM Patent Data |