UCSF

ZINC01037594

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 Yes

Popular Name: 3-chloro-4-(methylsulfonyl)thiophene-2-carboxylic acid 3-chloro-4-(methylsulfonyl)thiop…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 175201-86-2 , [175201-86-2]

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) 1.25 1.06 -50.3 0 4 -1 74 239.681 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999049856A2 IBM Patent Data

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

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