UCSF

ZINC22006045

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 11 Yes

Popular Name: Methyl 3-(thiophen-2-yl)propanoate Methyl 3-(thiophen-2-yl)propanoate

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CAS Numbers: 16862-05-8 , [16862-05-8]

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) 1.84 5.83 -5.16 0 2 0 26 170.233 4 ↓

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