UCSF

ZINC12336621

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) 3.61 2.71 -16.92 0 5 0 62 300.31 8

Vendor Notes

Note Type Comments Provided By
melting_point 8.500000000000000e+001 - 8.700000000000000e+001 KeyOrganics
melting_point 85 - 87 KeyOrganics
MP 85-87° 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.