In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 23 | Yes |
Popular Name: 1-tert-butyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-tert-butyl-6-[4-(2-hydroxyethy…
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) | 0.94 | 3.64 | -12.1 | 2 | 8 | 0 | 90 | 320.397 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 5.94 | -52.56 | 3 | 8 | 1 | 91 | 321.405 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.