UCSF

ZINC38482051

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 9 No

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Annotations

Vendors

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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) -0.59 -6.02 -6.79 1 4 0 51 131.131 2
Lo Low (pH 4.5-6) -0.59 -3.71 -32.5 2 4 1 53 132.139 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5182296; US5332754 IBM Patent Data

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