In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 25 | Yes |
Popular Name: 4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidine 4-(4-ethylpiperazin-1-yl)-1-(2-f…
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) | 2.40 | 12.15 | -47.84 | 1 | 6 | 1 | 51 | 341.414 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 9.94 | -10.86 | 0 | 6 | 0 | 50 | 340.406 | 3 | ↓ |