UCSF

ZINC66054186

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 20 Yes

Popular Name: 3-iodo-5-methyl-1-(phenylsulfonyl)-1h-pyrrolo[2,3-b]pyridine 3-iodo-5-methyl-1-(phenylsulfony…

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CAS Numbers: 1228666-07-6 , [1228666-07-6]

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) 3.68 7.69 -10.87 0 4 0 52 398.225 2 ↓

Vendor Notes

Note Type Comments Provided By
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.