UCSF

ZINC05487872

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 13 Yes

Popular Name: 1-butyl-5-oxopyrrolidine-3-carboxylic acid 1-butyl-5-oxopyrrolidine-3-carbo…

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CAS Numbers: , 43094-86-6 , [43094-86-6]

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) 0.85 4.37 -49.31 0 4 -1 60 184.215 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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