In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 25 | Yes |
Popular Name: 5-butyl-3-[[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 5-butyl-3-[[4-([1,2,4]triazolo[3…
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) | 1.49 | 6.65 | -15.4 | 0 | 9 | 0 | 88 | 342.407 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.49 | 8.86 | -57.51 | 1 | 9 | 1 | 90 | 343.415 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.