In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 21 | Yes |
Popular Name: 4-methyl-2-[4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]thiazole 4-methyl-2-[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) | 1.35 | 8.76 | -14.52 | 0 | 7 | 0 | 62 | 301.379 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.35 | 9.15 | -41.86 | 1 | 7 | 1 | 64 | 302.387 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.