UCSF

ZINC43221236

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Substance Information

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

Popular Name: (1R,3R,3aS,6aS)-3-benzyl-5-(3-nitrophenyl)-4,6-dioxo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c (1R,3R,3aS,6aS)-3-benzyl-5-(3-ni…

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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) 0.40 11.38 -49.86 1 10 -1 148 471.449 6 ↓
Mid Mid (pH 6-8) 0.41 12.4 -33.24 2 10 0 153 472.457 6 ↓
Mid Mid (pH 6-8) 0.40 12.45 -39.26 2 10 0 153 472.457 6 ↓

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