In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 23 | Yes |
Popular Name: 4-[4-(2-isopropoxyethyl)piperazin-1-yl]-1,6-dimethyl-pyrazolo[3,4-d]pyrimidine 4-[4-(2-isopropoxyethyl)piperazi…
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) | 1.01 | 8.15 | -41.17 | 1 | 7 | 1 | 61 | 319.433 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.01 | 5.91 | -7.54 | 0 | 7 | 0 | 59 | 318.425 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.