UCSF

ZINC40448599

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 Yes

Popular Name: ethyl 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylate ethyl 6-bromopyrrolo[1,2-a]pyraz…

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CAS Number: 588720-62-1

Other Names:

MFCD09953513

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) 2.51 6.35 -7.84 0 4 0 44 269.098 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 138 - 140 Enamine Building Blocks
MP 138...140 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.