UCSF

ZINC20506804

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 32 No

Popular Name: (1R,3R,3aS,6aS)-5-benzyl-1-(2,4-dihydroxyphenyl)-3-isobutyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[4, (1R,3R,3aS,6aS)-5-benzyl-1-(2,4-…

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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) 0.63 6.52 -43.83 4 8 0 135 438.48 6 ↓
Hi High (pH 8-9.5) 0.63 5.84 -53.65 3 8 -1 130 437.472 6 ↓

Activity (Go SEA)

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