UCSF

ZINC04001898

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 14 Yes

Popular Name: methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate methyl 3-aminothieno[2,3-c]pyrid…

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CAS Number: 111042-91-2

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) 1.29 2.88 -7.38 2 4 0 65 208.242 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 174 - 176 KeyOrganics

Activity (Go SEA)

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