In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 22 | Yes |
Popular Name: 5-chloro-4-[[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]methyl]thiadiazole 5-chloro-4-[[4-([1,2,4]triazolo[…
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) | 1.41 | 5.79 | -12.8 | 0 | 8 | 0 | 75 | 336.812 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 8.02 | -56.34 | 1 | 8 | 1 | 77 | 337.82 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.