| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 29 | Yes |
Popular Name: 3-benzyl-7-isopentyl-8-[[methyl(propyl)amino]methyl]purine-2,6-dione 3-benzyl-7-isopentyl-8-[[methyl(…
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| 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) | 3.08 | 12.03 | -55.21 | 2 | 7 | 1 | 77 | 398.531 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 9.36 | -81.5 | 1 | 7 | 0 | 80 | 397.523 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 7.08 | -53.74 | 0 | 7 | -1 | 79 | 396.515 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 9.74 | -8.5 | 1 | 7 | 0 | 76 | 397.523 | 9 | ↓ |
