UCSF

ZINC00035886

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) 3.31 -1.31 -7.98 2 2 0 38 226.304 1
Lo Low (pH 4.5-6) 3.31 -1.21 -29.36 3 2 1 40 227.312 1

Vendor Notes

Note Type Comments Provided By
MP 155 - 157 Enamine Building Blocks
Melting_Point 155-158? Alfa-Aesar
Melting_Point 155-158° Alfa-Aesar
MP 155...157 Enamine Building Blocks
MP 162° Matrix Scientific
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% )

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