UCSF

ZINC12647936

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) -0.67 -0.75 -7.2 5 4 0 85 151.169 1
Ref Reference (pH 7) -0.54 -0.91 -28.28 6 4 1 84 152.177 2
Ref Reference (pH 7) -0.67 -0.96 -7.66 5 4 0 85 151.169 1
Lo Low (pH 4.5-6) -0.67 -1 -30.74 6 4 1 86 152.177 1
Lo Low (pH 4.5-6) -0.67 -0.91 -28.4 6 4 1 86 152.177 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 168-170? Alfa-Aesar
Melting_Point 168-170° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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

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