In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2009 | 24 | Yes |
Popular Name: (1R,2S,4S)-2-(6-aminopurin-9-yl)-4-(benzyloxymethyl)cyclobutanol (1R,2S,4S)-2-(6-aminopurin-9-yl)…
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) | 1.73 | 6.71 | -40.69 | 2 | 7 | -1 | 102 | 324.364 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 7.18 | -45.76 | 3 | 7 | 0 | 103 | 325.372 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4918075 | IBM Patent Data |