UCSF

ZINC04414580

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 17 Yes

Popular Name: 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline 3-(3-ethyl[1,2,4]triazolo[3,4-b]…

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CAS Numbers: 874591-57-8 , [874591-57-8]

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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) 1.80 5.41 -9.93 2 5 0 69 245.311 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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