UCSF

ZINC12533335

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 38 No

Popular Name: (5S)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholinoethyl (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) 2.54 4.92 -65.33 1 10 -1 125 521.546 9 ↓
Mid Mid (pH 6-8) 2.99 6.16 -61.51 3 10 1 123 523.562 8 ↓
Mid Mid (pH 6-8) 1.96 7.18 -60.75 2 10 1 120 523.562 9 ↓
Mid Mid (pH 6-8) 2.54 7.24 -75.72 2 10 0 126 522.554 9 ↓

Activity (Go SEA)

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