In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 19th, 2006 | 26 | Yes |
Popular Name: 2-(6-aminopurin-9-yl)-4-benzylamino-5-(hydroxymethyl)tetrahydrofuran-3-ol 2-(6-aminopurin-9-yl)-4-benzylam…
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) | 0.00 | 1.03 | -53.23 | 6 | 9 | 1 | 136 | 357.394 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.00 | -0.15 | -9.94 | 5 | 9 | 0 | 131 | 356.386 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.00 | 1.44 | -43.9 | 5 | 9 | 0 | 139 | 356.386 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5620676 | IBM Patent Data |