UCSF

ZINC00521323

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) 0.86 2.74 -7.73 2 3 0 52 177.232 1
Lo Low (pH 4.5-6) 0.86 2.97 -33.67 3 3 1 53 178.24 1
Lo Low (pH 4.5-6) 0.86 3.04 -34.78 3 3 1 53 178.24 1
Lo Low (pH 4.5-6) 0.86 3.27 -85.02 4 3 2 54 179.248 1

Vendor Notes

Note Type Comments Provided By
MP 172 - 174 Enamine Building Blocks
MP 172...174 Enamine Building Blocks
MP 270-272° 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% )