| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 27 | Yes |
Popular Name: 3-butyl-8-[(N-ethyl-2-methyl-anilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(N-ethyl-2-methyl-ani…
| 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) | 2.87 | 10.49 | -8.1 | 1 | 7 | 0 | 76 | 369.469 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.87 | 10.36 | -46.44 | 2 | 7 | 1 | 77 | 370.477 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
