UCSF

ZINC66054192

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 22 No

Popular Name: 1-tert-Butyl 3-methyl 4-formyl-1H-pyrrolo[2,3-b]-pyridine-1,3-dicarboxylate 1-tert-Butyl 3-methyl 4-formyl-1…

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CAS Numbers: 1228666-48-5 , [1228666-48-5]

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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) 1.84 7.46 -11.85 0 7 0 88 304.302 5 ↓

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.