In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 24 | Yes |
Popular Name: 1-(2-pyridyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine 1-(2-pyridyl)-N-(1,3,5-trimethyl…
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) | 1.82 | 8.61 | -17.65 | 1 | 8 | 0 | 86 | 320.36 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.82 | 8.73 | -40.62 | 2 | 8 | 1 | 88 | 321.368 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.