UCSF

ZINC12502864

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) -0.41 -2.68 -10.51 4 8 0 119 269.236 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0473708A1; EP0473708B1; EP0715523A1; EP0817790A1; US4719295; US4997926; US5034518; US5384310; US5552311; US5661136; US5795756; US6017896; US6132957; WO1992020347A1; WO1995007718A2; WO2000012563A1 IBM Patent Data

Activity (Go SEA)

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