| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 25 | Yes |
Popular Name: N6-(1-benzylpyrazol-4-yl)-8,9-dimethyl-purine-2,6-diamine N6-(1-benzylpyrazol-4-yl)-8,9-di…
| 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 | 9.78 | -14.84 | 3 | 8 | 0 | 99 | 334.387 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 10.26 | -32.18 | 4 | 8 | 1 | 101 | 335.395 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 9.64 | -29.29 | 4 | 8 | 1 | 101 | 335.395 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
