| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2006 | 29 | Yes |
Popular Name: 3-benzyl-7-isopentyl-8-(pyrrolidin-1-ylmethyl)purine-2,6-dione 3-benzyl-7-isopentyl-8-(pyrrolid…
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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) | 2.61 | 11.7 | -53.93 | 2 | 7 | 1 | 77 | 396.515 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 12.17 | -135.74 | 3 | 7 | 2 | 78 | 397.523 | 7 | ↓ |
