UCSF

ZINC16729114

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 No

Popular Name: (5S)-5-(3-ethoxy-4-hydroxy-phenyl)-4-(3-fluoro-4-methoxy-benzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5 (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) 2.39 4.75 -63.82 1 9 -1 112 513.542 10 ↓
Mid Mid (pH 6-8) 2.83 5.99 -66.77 3 9 1 110 515.558 9 ↓
Mid Mid (pH 6-8) 1.80 7.01 -68.48 2 9 1 107 515.558 10 ↓
Mid Mid (pH 6-8) 2.39 7.08 -79.73 2 9 0 113 514.55 10 ↓

Activity (Go SEA)

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