In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 20 | Yes |
Popular Name: 1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine 1-methyl-N-[(1,3,5-trimethylpyra…
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) | 0.29 | 5.92 | -11.52 | 1 | 7 | 0 | 73 | 271.328 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.29 | 6.05 | -37.41 | 2 | 7 | 1 | 75 | 272.336 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.