UCSF

ZINC69476363

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 14 Yes

Popular Name: Ethyl 3-methylthieno[2,3-c]isothiazole-5-carboxylate Ethyl 3-methylthieno[2,3-c]isoth…

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CAS Numbers: 82000-57-5 , [82000-57-5] , [82003-90-5] , [82017-30-9]

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) 2.80 5.88 -7.27 0 3 0 39 227.31 3 ↓

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

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