| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2011 | 22 | Yes |
Popular Name: 3-butyl-7-methyl-8-(pyrrolidin-1-ylmethyl)purine-2,6-dione 3-butyl-7-methyl-8-(pyrrolidin-1…
| 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) | 0.80 | 7.3 | -49.36 | 2 | 7 | 1 | 77 | 306.39 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 4.86 | -8.69 | 1 | 7 | 0 | 76 | 305.382 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
