UCSF

ZINC13415686

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 11 Yes

Popular Name: (3aR,7aR)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole (3aR,7aR)-2,2-dimethyl-3a,4,5,6,…

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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) 2.33 4.32 -2.88 0 2 0 18 156.225 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5633412 IBM Patent Data

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Rings

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

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