In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: 9-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydropyran-2-yl]-1H-purin-6-one 9-[(2S,3R,4R,5R)-3,4-dihydroxy-5…
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) | -2.39 | -3.55 | -20.27 | 4 | 9 | 0 | 133 | 282.256 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.94 | -5.62 | -53.44 | 3 | 9 | -1 | 137 | 281.248 | 2 | ↓ |