UCSF

ZINC54956936

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 Yes

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

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CAS Number: 1256643-58-9

Other Names:

MFCD18381892

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) 0.01 2.69 -40.45 0 6 -1 84 177.143 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 229 - 231 Enamine Building Blocks
MP 229...231 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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