UCSF

ZINC39245871

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 16 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) 3.75 7.02 -7.87 1 2 0 33 227.288 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0587088A1; EP0587088B1; EP0671392A1; EP0672660A3; EP0730570A1; EP0730570B1; EP0759917A1; EP0759917B1; EP0789695A2; EP0807118A2; EP0855388A3; EP0970066A1; EP0976734A3; US5567725; US5629311; US5648511; US5659023; US5693771; US5705524; US5719170; US5750729 IBM Patent Data

Activity (Go SEA)

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