UCSF

ZINC13451284

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 36 No

Popular Name: (5S)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(2-morpholinoethyl)-5H (5S)-5-(3-ethoxy-4-hydroxy-pheny…

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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) 2.40 5.09 -62.98 1 9 -1 112 495.552 9 ↓
Mid Mid (pH 6-8) 2.85 6.35 -66.38 3 9 1 110 497.568 8 ↓
Mid Mid (pH 6-8) 2.40 7.43 -80.03 2 9 0 113 496.56 9 ↓

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