UCSF

ZINC04234690

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) 2.25 3.87 -6.26 3 3 0 55 193.637 1
Mid Mid (pH 6-8) 2.25 3.85 -6.13 3 3 0 55 193.637 1
Lo Low (pH 4.5-6) 2.25 3.99 -30.38 4 3 1 56 194.645 1

Vendor Notes

Note Type Comments Provided By
MP 130 - 132 Enamine Building Blocks
MP 130...132 Enamine Building Blocks
melting_point 138 - 140 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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