UCSF

ZINC66054277

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 13 No

Popular Name: 2-ethyl-1h-pyrrolo[2,3-b]pyridine-5-carbaldehyde 2-ethyl-1h-pyrrolo[2,3-b]pyridin…

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CAS Number: 1246088-51-6

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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) 1.82 4.83 -9.93 1 3 0 46 174.203 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.