UCSF

ZINC34655857

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 8.78 16.26 -7.64 1 3 0 47 444.7 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997001520A1 IBM Patent Data

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