UCSF

ZINC04759924

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 11 Yes

Popular Name: Thiophene-2,3-dicarboxylic acid Thiophene-2,3-dicarboxylic acid

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CAS Numbers: 1451-95-2 , 71189-23-6 , [1451-95-2]

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) 0.91 3.1 -125.91 0 4 -2 80 170.145 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 268 - 270 Enamine Building Blocks
MP 268...270 Enamine Building Blocks
MP 271 - 273 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.