In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2011 | 25 | Yes |
Popular Name: 2-[4-[(6-pyrrolidin-1-yl-3-pyridyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol 2-[4-[(6-pyrrolidin-1-yl-3-pyrid…
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) | 0.44 | 6.14 | -39.11 | 3 | 8 | 1 | 93 | 340.411 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 5.7 | -11.7 | 2 | 8 | 0 | 92 | 339.403 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.