UCSF

ZINC34940965

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 No

Popular Name: (4E,5S)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-morpholinoethyl)p (4E,5S)-4-[(3-ethoxyphenyl)-hydr…

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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) 2.00 4.32 -60.93 1 9 -1 112 481.525 9 ↓
Mid Mid (pH 6-8) 2.00 6.59 -77.09 2 9 0 113 482.533 9 ↓
Lo Low (pH 4.5-6) 2.00 5.83 -60.66 3 9 1 110 483.541 9 ↓

Activity (Go SEA)

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