UCSF

ZINC56875133

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 14 Yes

Popular Name: C18314; Phthalate 3,4-cis-dihydrodiol C18314; Phthalate 3,4-cis-dihydr…

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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) -1.71 0.59 -137.37 2 6 -2 121 198.13 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5523220 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.