UCSF

ZINC43221163

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 38 No

Popular Name: (3aS,4R,6S,6aR)-6-benzyl-4-(2-hydroxy-3-methoxy-phenyl)-2-(3-nitrophenyl)-1,3-dioxo-3a,4,5,6a-tetrah (3aS,4R,6S,6aR)-6-benzyl-4-(2-hy…

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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) 1.12 10.31 -69.45 2 11 -1 165 516.486 7 ↓
Mid Mid (pH 6-8) 1.12 10.85 -39.32 3 11 0 169 517.494 7 ↓
Mid Mid (pH 6-8) 1.12 11.37 -56.32 3 11 0 169 517.494 7 ↓

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