UCSF

ZINC00331945

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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) 1.14 3.53 -8.54 2 3 0 52 145.165 0
Lo Low (pH 4.5-6) 1.14 3.82 -28.14 3 3 1 53 146.173 0
Lo Low (pH 4.5-6) 1.14 0.15 -30.7 3 3 1 53 146.173 0

Vendor Notes

Note Type Comments Provided By
MP 264 - 266 Enamine Building Blocks
MP 264...266 Enamine Building Blocks
melting_point 274 - 276 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000032590A1; WO2000039131A1 IBM Patent Data

Activity (Go SEA)

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