In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2009 | 20 | Yes |
Popular Name: (2R,3S,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (2R,3S,4S,5R)-2-(6,8-diaminopuri…
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) | -1.05 | -6.09 | -21.76 | 7 | 10 | 0 | 166 | 282.26 | 2 | ↓ |
Lo Low (pH 4.5-6) | -1.05 | -5.63 | -43.82 | 8 | 10 | 1 | 167 | 283.268 | 2 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0346400A1; EP0499291A1; US4383031; US4629688; US4791055; US5965106; WO1989005647A1; WO1989005648A1; WO2000029624A2 | IBM Patent Data |