UCSF

ZINC00689734

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 No

CAS Number: 552-66-9

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) 0.77 -3.92 -16.32 5 9 0 150 416.382 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0592583A1; EP0647408A1; EP0647408B1; EP0682877A1; EP0723536A1; EP0742012A2; EP0795553A1; EP0796624A2; EP0812837A1; EP0827698B1; EP0829261A2; EP0829261A3; EP0834262A1; EP0837139A3; EP0851761A1; EP0896795A1; EP0903143A2; EP0906761A2; EP0922395A1; EP092923 IBM Patent Data

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