UCSF

ZINC00338997

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 13 Yes

Popular Name: 3-Methylbenzo[b]thiophene-2-carboxylic acid 3-Methylbenzo[b]thiophene-2-carb…

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CAS Numbers: 3133-78-6 , 588713-28-4 , [3133-78-6]

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) 3.09 -0.02 -53.13 0 2 -1 40 191.231 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 241-244? Alfa-Aesar
Melting_Point 241-244° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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