UCSF

ZINC00407432

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 Yes

Popular Name: BRN 5445189; Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester; LS-37075; Methyl 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)benzoate BRN 5445189; Benzoic acid, 4-(2-…

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Other Names:

MFCD00525519

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) 2.75 4.67 -16.25 2 6 0 93 302.282 6 ↓
Hi High (pH 8-9.5) 2.75 5.68 -56.72 1 6 -1 96 301.274 6 ↓

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