UCSF

ZINC19088167

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 9 Yes

Popular Name: 5-oxopyrrolidine-3-carboxylic acid 5-oxopyrrolidine-3-carboxylic acid

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CAS Numbers: 7268-43-1 , [7268-43-1]

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) -0.83 0.46 -39.93 1 4 -1 69 128.107 1 ↓
Lo Low (pH 4.5-6) -0.83 -1.51 -10.97 2 4 0 66 129.115 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 129 - 131 Enamine Building Blocks
MP 129...131 Enamine Building Blocks
MP 149 - 151 Enamine Building Blocks
MP 158 - 160 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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