UCSF

ZINC00459100

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 Yes

Popular Name: 1-(2,4-Dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone; BRN 5438624; Ethanone, 1-(2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)-; LS-67370 1-(2,4-Dihydroxyphenyl)-2-(2-flu…

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Other Names:

MFCD04122742

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) 2.70 4.07 -18.09 2 4 0 67 262.236 4 ↓
Mid Mid (pH 6-8) 2.70 5.08 -62.28 1 4 -1 70 261.228 4 ↓

Activity (Go SEA)

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