UCSF

ZINC66054263

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 21 Yes

Popular Name: 4-Chloro-5-fluoro-3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine 4-Chloro-5-fluoro-3-iodo-1-(phen…

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CAS Number: 1305324-87-1

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) 4.16 7.47 -9.08 0 4 0 52 436.633 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.