UCSF

ZINC69815853

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 Yes

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

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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) 0.55 5.02 -11.86 1 7 0 70 276.344 3 ↓
Mid Mid (pH 6-8) 0.55 6.73 -53.92 2 7 1 71 277.352 3 ↓

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Rings

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

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