UCSF

ZINC02348126

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 18 Yes

Popular Name: 5-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylaniline 5-(3-ethyl[1,2,4]triazolo[3,4-b]…

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CAS Numbers: 764710-11-4 , [764710-11-4]

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) 2.60 -0.38 -9.86 2 5 0 69 259.338 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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