UCSF

ZINC00179374

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 17 Yes

Popular Name: 4-(2-Carboxy-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 4-(2-Carboxy-ethyl)-3,5-dimethyl…

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CAS Numbers: 37789-64-3 , [37789-64-3]

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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) 1.77 6.98 -47.57 1 5 -1 82 238.263 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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