UCSF

ZINC12341197

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2008 12 No

Popular Name: (2E)-3-(dimethylamino)-2-(2-thienyl)acrylonitrile (2E)-3-(dimethylamino)-2-(2-thie…

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CAS Numbers: , 165404-37-5

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) 1.54 1.84 -7.91 0 2 0 27 178.26 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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