UCSF

ZINC06667085

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 18 Yes

Popular Name: (S)-2-(3,4,5-Trimethoxyphenyl)butanoic acid (S)-2-(3,4,5-Trimethoxyphenyl)bu…

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CAS Numbers: 195202-06-3 , 195202-08-5

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) 2.14 2.41 -47.31 0 5 -1 67 253.274 6 ↓

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