UCSF

ZINC59759565

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 16 Yes

Popular Name: (1'S,2'R,3'aS,6'aR)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carb (1'S,2'R,3'aS,6'aR)-2'-hydroxysp…

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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) 0.43 2.94 -54.54 1 5 -1 79 227.236 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4894336; US5093250; US5102793 IBM Patent Data

Activity (Go SEA)

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