UCSF

ZINC66054254

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 13 Yes

Popular Name: 4-allyl-5-fluoro-1h-pyrrolo[2,3-b]pyridine 4-allyl-5-fluoro-1h-pyrrolo[2,3-…

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CAS Numbers: 1228665-89-1 , [1228665-89-1]

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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) 2.32 5.81 -6.58 1 2 0 29 176.194 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.