UCSF

ZINC19848977

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 31 No

Popular Name: (1R,3S,3aS,6aS)-1-(2-hydroxy-5-methoxy-phenyl)-5-(2-methoxyphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetr (1R,3S,3aS,6aS)-1-(2-hydroxy-5-m…

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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) 0.19 4.85 -52.87 3 9 0 133 426.425 5 ↓
Hi High (pH 8-9.5) 0.19 4.01 -70.77 2 9 -1 128 425.417 5 ↓

Activity (Go SEA)

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