UCSF

ZINC17138411

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 34 No

Popular Name: (4E,5R)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-pyridyl (4E,5R)-4-[hydroxy-(4-methoxy-2-…

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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) 2.31 7.01 -46.85 1 8 -1 112 459.478 7 ↓
Mid Mid (pH 6-8) 1.73 7.01 -15.37 1 8 0 106 460.486 7 ↓
Mid Mid (pH 6-8) 2.31 6.54 -15.18 2 8 0 109 460.486 7 ↓
Lo Low (pH 4.5-6) 2.31 6.82 -48.37 3 8 1 110 461.494 7 ↓
Lo Low (pH 4.5-6) 1.73 7.29 -52.55 2 8 1 107 461.494 7 ↓

Activity (Go SEA)

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