UCSF

ZINC03883866

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) 0.48 2.32 -33.55 0 3 -1 40 150.083 1
Ref Reference (pH 7) 0.48 2.33 -33.49 0 3 -1 40 150.083 1
Mid Mid (pH 6-8) 0.48 2.45 -7.53 1 3 0 42 151.091 1
Mid Mid (pH 6-8) 0.48 2.46 -4.41 1 3 0 42 151.091 1

Vendor Notes

Note Type Comments Provided By
melting_point 143 - 145 KeyOrganics
MP 143-145° Matrix Scientific
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.