UCSF

ZINC04736807

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 18 Yes

Popular Name: 2-methoxy-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline 2-methoxy-5-(3-methyl[1,2,4]tria…

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CAS Numbers: 879058-43-2 , [879058-43-2]

Download: MOL2 SDF SMILES Flexibase

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) 1.64 -0.75 -10.49 2 6 0 78 261.31 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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

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