UCSF

ZINC00235758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 Yes

Popular Name: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid 3,7-dichloro-6-methoxy-1-benzoth…

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CAS Number: 34576-89-1

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) 3.96 -0.51 -49.56 0 3 -1 49 276.12 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 105 - 109 Enamine Building Blocks
MP 105...109 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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

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