| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 23 | Yes |
Popular Name: N6,8,9-trimethyl-N6-[(1,3,5-trimethylpyrazol-4-yl)methyl]purine-2,6-diamine N6,8,9-trimethyl-N6-[(1,3,5-trim…
| 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) | 1.03 | 9.02 | -15.9 | 2 | 8 | 0 | 91 | 314.397 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 9.5 | -32.13 | 3 | 8 | 1 | 92 | 315.405 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 9.17 | -32.03 | 3 | 8 | 1 | 92 | 315.405 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
