UCSF

ZINC00176157

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 Yes

Popular Name: 3,6-Dichloro-1-benzothiophene-2-carboxylic acid 3,6-Dichloro-1-benzothiophene-2-…

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CAS Number: 34576-94-8

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) 3.98 7.49 -43.58 0 2 -1 40 246.094 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 284 - 286 Enamine Building Blocks
MP 284-290° Matrix Scientific
MP 284...286 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95%+ Fluorochem
Warnings IRRITANT Matrix Scientific
BP ~426° Matrix Scientific

Activity (Go SEA)

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