In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 23 | Yes |
Popular Name: 1-methyl-6-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[(4-methylsulfonyl-1,…
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) | -1.02 | 1.08 | -21.03 | 1 | 9 | 0 | 104 | 340.409 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.02 | 2.97 | -72.22 | 2 | 9 | 1 | 105 | 341.417 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.