UCSF

ZINC01704297

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 19 Yes

Popular Name: Tofenacin (BAN Tofenacin (BAN

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CAS Number: 10488-36-5

Download: MOL2 SDF SMILES Flexibase

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) 3.66 0.39 -37.84 2 2 1 25 256.369 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0737066A1; EP0929303A2; EP0994867A1; EP1021204A2; EP1027011A1; EP1054998A1; US5446070; US5656286; US5719197; US5922341; US6024976; US6096742; US6117855; WO1995018603A1; WO1996040086A2; WO1998015277A2; WO1999001444A1; WO1999015210A2; WO1999021508A1; WO19 IBM Patent Data

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