UCSF

ZINC03886486

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 Yes

Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylic acid 1-(2,3-dihydro-1,4-benzodioxin-6…

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CAS Numbers: 260555-42-8 , [260555-42-8]

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) 0.15 5.28 -43.94 0 6 -1 79 262.241 2 ↓
Lo Low (pH 4.5-6) 0.15 3.3 -15.14 1 6 0 76 263.249 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 221 - 223 Enamine Building Blocks
MP 221...223 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
Warnings IRRITANT Matrix Scientific

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