UCSF

ZINC02040899

Annotations

Vendors

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) 1.26 2.7 -8.84 1 2 0 29 118.139 0
Lo Low (pH 4.5-6) 1.26 2.97 -28.26 2 2 1 30 119.147 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 125-127? Alfa-Aesar
MP 126 - 127 Enamine Building Blocks
MP 126...127 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% APIChem
PUBCHEM_PATENT_ID EP0676398A2; EP0676398A3; EP0728130A1; EP0851863A1; EP0980357A1; EP0981516A1; EP0983244A1; EP0983245A1; EP1022274A1; US5624935; US5739345; US5834501; US5977365; US6117893; WO1995013267A1; WO1997011065A1; WO1998049145A1; WO1998050363A1; WO1998050364A1; WO1 IBM Patent Data
PUBCHEM_PATENT_ID EP0676398A2; EP0676398A3; EP1022274A1; US5624935; US5739345; US5834501; US5977365; US6117893 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.