UCSF

ZINC69705040

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

Popular Name: 4-methyl-6-[4-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]pyrimidin-2-amine 4-methyl-6-[4-(3-methyl-[1,2,4]t…

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Physical Representations

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) 0.60 9.24 -42.84 3 9 1 103 326.388 2 ↓
Mid Mid (pH 6-8) 0.60 9.16 -45.31 3 9 1 103 326.388 2 ↓
Mid Mid (pH 6-8) 0.60 8.79 -16.7 2 9 0 101 325.38 2 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.