UCSF

ZINC33314436

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 28 No

Popular Name: (1R,3R,3aR,6aS)-5-benzyl-1-(2-hydroxyphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]py (1R,3R,3aR,6aS)-5-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) -0.15 5.72 -32.49 3 7 0 114 380.4 4 ↓
Hi High (pH 8-9.5) -0.15 6.5 -61.98 2 7 -1 117 379.392 4 ↓
Hi High (pH 8-9.5) -0.15 4.81 -48.59 2 7 -1 110 379.392 4 ↓
Hi High (pH 8-9.5) -0.15 5.6 -111.15 1 7 -2 113 378.384 4 ↓

Activity (Go SEA)

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