UCSF

ZINC43221270

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 30 No

Popular Name: (1R,3R,3aS,6aS)-3-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[ (1R,3R,3aS,6aS)-3-benzyl-1-(2,3-…

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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) -0.79 5.82 -49 2 8 -1 117 407.402 4 ↓
Mid Mid (pH 6-8) -0.61 3.54 -49.5 2 8 -1 128 407.402 4 ↓
Mid Mid (pH 6-8) -0.79 6.76 -43.39 3 8 0 121 408.41 4 ↓
Lo Low (pH 4.5-6) -0.79 5.97 -32 3 8 0 121 408.41 4 ↓
Lo Low (pH 4.5-6) -0.61 4.24 -77.85 2 8 -1 128 407.402 4 ↓

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