UCSF

ZINC05104149

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 18 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) -2.09 -6.62 -18.82 3 8 0 121 256.214 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0285057A2; EP0285058A2; EP0285950A2; EP0286898A2; EP0286898B1; EP0302175A2; EP0592511A1; EP0592511B1; EP0618228A1; EP0923591A1; US5166315; US5241060; US5260433; US5405938; US5831045; US5831046; US5876938; WO1993000352A1; WO1994012517A1; WO1998005672A1 IBM Patent Data

Activity (Go SEA)

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