UCSF

ZINC33740172

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 No

Popular Name: (1R,3S,3aS,6aS)-1-(2-hydroxy-3-methoxy-phenyl)-3-isobutyl-5-(4-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-te (1R,3S,3aS,6aS)-1-(2-hydroxy-3-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) 1.09 6.45 -41.87 3 9 0 133 468.506 7 ↓
Hi High (pH 8-9.5) 1.09 5.59 -54.87 2 9 -1 128 467.498 7 ↓

Activity (Go SEA)

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