UCSF

ZINC04726477

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 14 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) 1.13 4.02 -11.86 0 6 0 100 191.146 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5220021; WO1990012017A1 IBM Patent Data

Activity (Go SEA)

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