UCSF

ZINC01382039

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 17 Yes

Popular Name: ethyl 3-amino-4-methoxythieno[2,3-b]pyridine-2-carboxylate ethyl 3-amino-4-methoxythieno[2,…

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CAS Numbers: 338773-61-8 , [338773-61-8]

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) 1.85 -1.01 -9.77 2 5 0 74 252.295 4 ↓
Mid Mid (pH 6-8) 1.85 -0.92 -38.4 3 5 1 75 253.303 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 137 - 139 KeyOrganics

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Rings

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

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