UCSF

ZINC19848869

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 No

Popular Name: (1R,3R,3aS,6aS)-3-ethyl-1-(2-hydroxyphenyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[4,3-c]pyr (1R,3R,3aS,6aS)-3-ethyl-1-(2-hyd…

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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) 0.66 6.68 -44.85 3 7 0 114 380.4 4 ↓
Hi High (pH 8-9.5) 0.66 5.83 -52.43 2 7 -1 110 379.392 4 ↓

Activity (Go SEA)

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