UCSF

ZINC00337377

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: Ethyl 5-methyl-1H-pyrrole-2-carboxylate Ethyl 5-methyl-1H-pyrrole-2-carb…

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CAS Numbers: 3284-51-3 , [3284-51-3]

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) 1.52 4.4 -6.65 1 3 0 42 153.181 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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