In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 20 | Yes |
Popular Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-piperazin-1-yl-ethanone 2-[(1-methylpyrazolo[3,4-d]pyrim…
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) | -1.28 | 3.37 | -54.62 | 3 | 8 | 1 | 93 | 276.324 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.28 | 2.08 | -11.07 | 2 | 8 | 0 | 88 | 275.316 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.