UCSF

ZINC19857217

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 10 Yes

Popular Name: 6-bromo-3H-[1,2,3]triazolo[4,5-b]pyridine 6-bromo-3H-[1,2,3]triazolo[4,5-b…

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CAS Number: 92276-38-5

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) 1.34 1.59 -11.26 1 4 0 54 199.011 0 ↓
Mid Mid (pH 6-8) 1.34 1.38 -35.77 0 4 -1 53 198.003 0 ↓
Lo Low (pH 4.5-6) 1.34 1.66 -6.49 1 4 0 54 199.011 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 209 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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