UCSF

ZINC04270085

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) -1.09 -2.25 -31.21 4 5 1 84 139.138 2
Ref Reference (pH 7) -1.22 -2.21 -7.25 3 5 0 84 138.13 1
Ref Reference (pH 7) -0.34 -0.22 -18.7 3 5 0 84 138.13 1
Ref Reference (pH 7) -0.34 -0.47 -26.03 3 5 0 84 138.13 1
Lo Low (pH 4.5-6) -0.34 -0.51 -41.98 4 5 1 86 139.138 1
Lo Low (pH 4.5-6) -0.34 -0.27 -34.58 4 5 1 86 139.138 1
Lo Low (pH 4.5-6) -0.33 -0.7 -56.92 4 5 1 86 139.138 1

Vendor Notes

Note Type Comments Provided By
MP 182 - 184 Enamine Building Blocks
MP 182...184 Enamine Building Blocks
MP 183-185° Matrix Scientific
melting_point 185 - 186 KeyOrganics
MP 185-186° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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