UCSF

ZINC08730226

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 17 Yes

Popular Name: tert-butyl 3-bromo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate tert-butyl 3-bromo-1H-pyrrolo[2,…

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CAS Numbers: 198976-43-1 , 226085-17-2 , [226085-17-2]

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) 3.10 1.37 -9.95 0 4 0 44 297.152 2 ↓
Lo Low (pH 4.5-6) 3.10 1.52 -28.92 1 4 1 45 298.16 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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