| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 23 | Yes |
Popular Name: N6-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)-8,9-dimethyl-purine-2,6-diamine N6-(1-isopropyl-3,5-dimethyl-pyr…
| 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) | 2.26 | 8.03 | -12.98 | 3 | 8 | 0 | 99 | 314.397 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 8.5 | -29.77 | 4 | 8 | 1 | 101 | 315.405 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 8.53 | -25.55 | 4 | 8 | 1 | 101 | 315.405 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
