UCSF

ZINC00196209

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 11 No

Popular Name: 3-acetyl-1,3-thiazolidine-4-carboxylic acid 3-acetyl-1,3-thiazolidine-4-carb…

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CAS Numbers: 24877-72-3 , 5025-82-1 , 54323-50-1 , [5025-82-1]

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) -2.15 3.41 -54.12 0 4 -1 60 174.201 1 ↓
Hi High (pH 8-9.5) 2.77 4.57 -58.34 0 8 -1 110 329.354 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 111 - 113 Enamine Building Blocks
MP 111...113 Enamine Building Blocks
MP 144 - 146 Enamine Building Blocks
MP 146-148° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0416282A1; EP0416282B1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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