UCSF

ZINC04352659

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) -0.38 -1.83 -6.76 3 3 0 59 124.143 1
Mid Mid (pH 6-8) -0.38 -1.55 -29.88 4 3 1 60 125.151 1

Vendor Notes

Note Type Comments Provided By
MP 112 - 114 Enamine Building Blocks
MP 112...114 Enamine Building Blocks
melting_point 118 - 120 KeyOrganics
MP 118.7-118.9° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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