| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 26 | Yes |
Popular Name: 8,9-dimethyl-N6-[1-(m-tolylmethyl)pyrazol-4-yl]purine-2,6-diamine 8,9-dimethyl-N6-[1-(m-tolylmethy…
| 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) | 3.10 | 10.42 | -14.88 | 3 | 8 | 0 | 99 | 348.414 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 10.89 | -32.18 | 4 | 8 | 1 | 101 | 349.422 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 10.47 | -29.19 | 4 | 8 | 1 | 101 | 349.422 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
