UCSF

ZINC40442636

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 13 No

Popular Name: 3,3,5-Tribromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one 3,3,5-Tribromo-1H-pyrrolo[2,3-b]…

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CAS Numbers: 183208-32-4 , [183208-32-4]

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) 2.47 3.96 -3.97 1 3 0 42 370.826 0 ↓
Hi High (pH 8-9.5) 2.66 2 -34.5 0 3 -1 48 369.818 0 ↓

Vendor Notes

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

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Rings

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

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