UCSF

ZINC00967326

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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) -0.83 1.16 -41.26 2 5 -1 92 138.106 1
Lo Low (pH 4.5-6) -0.83 -2.26 -29.73 3 5 0 93 139.114 1
Lo Low (pH 4.5-6) -0.83 1.44 -39.9 3 5 0 93 139.114 1

Vendor Notes

Note Type Comments Provided By
MP 226 - 228 Enamine Building Blocks
MP 226...228 Enamine Building Blocks
MP 278-281° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4399131; US4758556; US5710146; USRE35754 IBM Patent Data

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