UCSF

ZINC43221262

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 35 No

Popular Name: (3aS,4S,6S,6aR)-6-benzyl-2-cyclohexyl-4-(4-hydroxy-3,5-dimethyl-phenyl)-1,3-dioxo-3a,4,5,6a-tetrahyd (3aS,4S,6S,6aR)-6-benzyl-2-cyclo…

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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) 2.38 12.36 -48.4 3 7 0 114 476.573 5 ↓
Mid Mid (pH 6-8) 2.38 10.14 -49.17 2 7 -1 110 475.565 5 ↓
Mid Mid (pH 6-8) 2.38 11.35 -56.3 2 7 -1 110 475.565 5 ↓

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