UCSF

ZINC43221123

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 39 No

Popular Name: (1R,3S,3aS,6aS)-3-benzyl-1-(1-naphthyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4- (1R,3S,3aS,6aS)-3-benzyl-1-(1-na…

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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) 2.73 14.45 -52.82 1 9 -1 135 520.521 6 ↓
Mid Mid (pH 6-8) 2.74 16.35 -50.61 2 9 0 140 521.529 6 ↓
Mid Mid (pH 6-8) 2.73 15.19 -41.07 2 9 0 140 521.529 6 ↓

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