UCSF

ZINC04290646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 7 Yes

Popular Name: 2-Bromo-5-methyl-1,3,4-thiadiazole 2-Bromo-5-methyl-1,3,4-thiadiazole

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CAS Numbers: 54044-79-0 , [54044-79-0]

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) 1.18 1.94 -6.21 0 2 0 26 179.042 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 106 - 108 Enamine Building Blocks
MP 106...108 Enamine Building Blocks
MP 112-113° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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