In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 23 | No |
Popular Name: 3-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]pentane-2,4-dione 3-[[3-(2-pyridyl)-[1,2,4]triazol…
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) | 1.78 | 7.3 | -45.93 | 0 | 7 | -1 | 96 | 326.361 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.03 | 7.46 | -15.97 | 0 | 7 | 0 | 90 | 327.369 | 5 | ↓ |