UCSF

ZINC33445790

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 34 No

Popular Name: (1R,3S,3aS,6aS)-5-but-3-ynyl-3-(2-methylsulfanylethyl)-4,6-dioxo-1-(4-phenoxyphenyl)-1,2,3a,6a-tetra (1R,3S,3aS,6aS)-5-but-3-ynyl-3-(…

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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) 1.12 12.3 -42.7 2 7 0 103 478.57 9 ↓
Hi High (pH 8-9.5) 1.12 10.43 -59.1 1 7 -1 99 477.562 9 ↓

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

No pre-computed analogs available. Try a structural similarity search.