UCSF

ZINC33676257

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 35 No

Popular Name: (3aS,4R,6S,6aR)-2-(2,6-diethylphenyl)-6-(hydroxymethyl)-4-(1-naphthyl)-1,3-dioxo-3a,4,5,6a-tetrahydr (3aS,4R,6S,6aR)-2-(2,6-diethylph…

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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) 2.10 10.74 -28.01 3 7 0 114 472.541 6 ↓
Hi High (pH 8-9.5) 2.10 8.99 -60.58 2 7 -1 110 471.533 6 ↓
Mid Mid (pH 6-8) 2.10 9.59 -54.72 2 7 -1 110 471.533 6 ↓

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