In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 32 | Yes |
Popular Name: 6-benzyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 6-benzyl-3-[4-(2-pyridyl)piperaz…
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) | 3.29 | 6.67 | -70.74 | 1 | 9 | 0 | 109 | 448.508 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 6.41 | -49.6 | 0 | 9 | -1 | 107 | 447.5 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.