In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 25 | Yes |
Popular Name: 1-(1-piperidyl)-3-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]propan-1-one 1-(1-piperidyl)-3-[4-([1,2,4]tri…
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) | 0.90 | 10.38 | -62.95 | 1 | 8 | 1 | 71 | 344.443 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 8.17 | -19.11 | 0 | 8 | 0 | 70 | 343.435 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.