UCSF

ZINC01571176

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: 2-Bromo-5-methylbenzoic acid 2-Bromo-5-methylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1483-56-3 , 6967-82-4 , [3153-37-5] , [6967-82-4]

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) 2.70 0.37 -50.06 0 2 -1 40 214.038 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 139 - 141 Enamine Building Blocks
MP 139-141° Matrix Scientific
MP 139...141 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
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.