UCSF

ZINC66054166

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 21 No

Popular Name: 5-Iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde 5-Iodo-1-(phenylsulfonyl)-1H-pyr…

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CAS Number: 1346447-36-6

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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) 3.49 6.86 -10.54 0 5 0 69 412.208 3 ↓

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.