UCSF

ZINC00207456

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: methyl 6-bromo-1H-indole-2-carboxylate methyl 6-bromo-1H-indole-2-carbo…

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CAS Numbers: 103858-53-3 , 372089-59-3 , [103858-53-3] , [372089-59-3]

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) 3.02 0.17 -5.16 1 3 0 42 254.083 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 180 - 182 Enamine Building Blocks
MP 180...182 Enamine Building Blocks
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.