UCSF

ZINC04170755

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 18 Yes

Popular Name: ethyl 3-amino-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxylate ethyl 3-amino-4-(dimethylamino)t…

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CAS Numbers: 147992-86-7 , [147992-86-7]

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) 1.89 -0.84 -37.47 3 5 1 69 266.346 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 96-98° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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