UCSF

ZINC19848986

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 34 No

Popular Name: (1R,3R,3aS,6aS)-3-ethyl-1-(2-hydroxy-4-methoxy-phenyl)-5-(1-naphthyl)-4,6-dioxo-1,2,3a,6a-tetrahydro (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) 1.85 8.77 -49.76 3 8 0 124 460.486 5 ↓
Hi High (pH 8-9.5) 1.85 7.92 -57.98 2 8 -1 119 459.478 5 ↓
Hi High (pH 8-9.5) 1.85 9.56 -77.48 2 8 -1 126 459.478 5 ↓

Activity (Go SEA)

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