UCSF

ZINC17162434

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 35 No

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

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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) 2.62 8.98 -46.2 0 8 -1 101 473.505 8 ↓
Mid Mid (pH 6-8) 2.62 8.61 -15.38 1 8 0 98 474.513 8 ↓
Mid Mid (pH 6-8) 2.04 9.07 -15.4 0 8 0 95 474.513 8 ↓
Lo Low (pH 4.5-6) 2.62 8.89 -47.68 2 8 1 99 475.521 8 ↓
Lo Low (pH 4.5-6) 2.04 9.35 -51.69 1 8 1 96 475.521 8 ↓

Activity (Go SEA)

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