| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 2nd, 2011 | 26 | Yes |
Popular Name: 8-[(4-acetylpiperazin-1-yl)methyl]-3-butyl-7-methyl-purine-2,6-dione 8-[(4-acetylpiperazin-1-yl)methy…
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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) | -0.35 | 4.45 | -16.68 | 1 | 9 | 0 | 96 | 362.434 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.35 | 6.64 | -63.53 | 2 | 9 | 1 | 97 | 363.442 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
