UCSF

ZINC43221179

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 36 No

Popular Name: (1R,3S,3aS,6aS)-3-benzyl-1-(2-hydroxyphenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo (1R,3S,3aS,6aS)-3-benzyl-1-(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) 1.52 9.58 -53.53 2 10 -1 156 486.46 6 ↓
Mid Mid (pH 6-8) 1.52 11.45 -50 3 10 0 160 487.468 6 ↓
Mid Mid (pH 6-8) 1.52 10.3 -42.27 3 10 0 160 487.468 6 ↓

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