UCSF

ZINC02547984

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: 5-Bromo-1H-indole-3-carboxylic acid 5-Bromo-1H-indole-3-carboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10406-06-1 , [10406-06-1]

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) 2.44 -1.08 -55.3 1 3 -1 56 239.048 1 ↓
Hi High (pH 8-9.5) 1.64 5.67 -102.92 8 9 2 142 511.577 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 238 - 240 Enamine Building Blocks
MP 238...240 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% 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.