UCSF

ZINC02566985

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: Ethyl 5-amino-3-methylbenzo[b]thiophene-2-carboxylate Ethyl 5-amino-3-methylbenzo[b]th…

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CAS Numbers: 31310-19-7 , [31310-19-7]

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) 2.78 -0.54 -7.02 2 3 0 52 235.308 3 ↓

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