UCSF

ZINC16546161

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 19 No

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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) 0.79 -0.93 -12.54 4 8 0 119 377.142 2
Lo Low (pH 4.5-6) 0.79 -0.67 -36.49 5 8 1 121 378.15 2
Lo Low (pH 4.5-6) 0.79 -5.05 -34.98 5 8 1 121 378.15 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0425680A1; EP0457326A1; EP0755255A1; EP0880353A1; US4485016; US5213972; US5405839; US5449664; US5728684; US5773424; US5998423; WO1996018398A1 IBM Patent Data

Activity (Go SEA)

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