UCSF

ZINC00035539

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) 4.27 0.31 -52.2 0 3 -1 53 282.706 2

Vendor Notes

Note Type Comments Provided By
melting_point 2.640000000000000e+002 - 2.660000000000000e+002 KeyOrganics
melting_point 264 - 266 KeyOrganics
MP 273 - 275 Enamine Building Blocks
MP 273...275 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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