UCSF

ZINC33919804

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 37 No

Popular Name: (3aS,4R,6S,6aR)-2-(4-ethylphenyl)-6-(hydroxymethyl)-1,3-dioxo-4-[4-[(E)-styryl]phenyl]-3a,4,5,6a-tet (3aS,4R,6S,6aR)-2-(4-ethylphenyl…

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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) 2.68 11.76 -29.56 3 7 0 114 496.563 7 ↓
Hi High (pH 8-9.5) 2.68 10.72 -53.79 2 7 -1 110 495.555 7 ↓
Mid Mid (pH 6-8) 2.68 10.62 -51.34 2 7 -1 110 495.555 7 ↓

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