UCSF

ZINC00166256

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 4-(4-fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde 4-(4-fluorobenzoyl)-1-methyl-1H-…

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CAS Numbers: 128843-61-8 , [128843-61-8]

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) 2.50 6.97 -10.87 0 3 0 39 231.226 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 120 - 122 KeyOrganics
MP 120-122° Fluorochem
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.