In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 21 | Yes |
Popular Name: N-[3-(2-aminoethoxy)phenyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[3-(2-aminoethoxy)phenyl]-1-me…
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) | 1.04 | 5.11 | -49.53 | 4 | 7 | 1 | 93 | 285.331 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.04 | 4.67 | -12.1 | 3 | 7 | 0 | 91 | 284.323 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.