In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 25 | Yes |
Popular Name: 1-[4-[[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]-1-piperidyl]ethanone 1-[4-[[4-([1,2,4]triazolo[3,4-f]…
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) | 0.54 | 10.26 | -66.95 | 1 | 8 | 1 | 71 | 344.443 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.54 | 8.29 | -19.58 | 0 | 8 | 0 | 70 | 343.435 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.