UCSF

ZINC17247054

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 31 No

Popular Name: (4E,5S)-4-[hydroxy-(4-isobutoxyphenyl)methylene]-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2 (4E,5S)-4-[hydroxy-(4-isobutoxyp…

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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) 3.06 6.15 -61.52 1 7 -1 99 424.473 9 ↓
Mid Mid (pH 6-8) 3.06 6.4 -13.78 2 7 0 96 425.481 9 ↓
Mid Mid (pH 6-8) 2.48 6.75 -14.17 1 7 0 93 425.481 9 ↓

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