UCSF

ZINC33899445

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 35 No

Popular Name: (3aS,4S,6S,6aR)-6-benzyl-4-(4-methoxycarbonylphenyl)-2-(3-methylsulfanylpropyl)-1,3-dioxo-3a,4,5,6a- (3aS,4S,6S,6aR)-6-benzyl-4-(4-me…

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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) 0.91 12.9 -51.93 1 8 -1 116 495.577 10 ↓
Mid Mid (pH 6-8) 0.91 12.58 -43.71 2 8 0 120 496.585 10 ↓
Lo Low (pH 4.5-6) 0.91 13.91 -50.63 2 8 0 120 496.585 10 ↓

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