| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 28 | Yes |
Popular Name: 1,7-bis(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 1,7-bis(2-methoxyethyl)-3-methyl…
| 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) | 1.32 | 2.04 | -11.09 | 0 | 10 | 0 | 98 | 390.444 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 2.23 | -32.79 | 1 | 10 | 1 | 99 | 391.452 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
