In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2011 | 26 | Yes |
Popular Name: 3-butyl-8-[(2,4-dimethylanilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(2,4-dimethylanilino)…
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) | 2.67 | 8.27 | -9.02 | 2 | 7 | 0 | 85 | 355.442 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.