| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 22 | Yes |
Popular Name: 3-butyl-8-(imidazol-1-ylmethyl)-7-methyl-purine-2,6-dione 3-butyl-8-(imidazol-1-ylmethyl)-…
| 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) | 0.24 | 8.03 | -47.29 | 2 | 8 | 1 | 92 | 303.346 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 7.52 | -15.59 | 1 | 8 | 0 | 91 | 302.338 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
