UCSF

ZINC12471773

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) 1.80 6.63 -10.99 0 4 0 44 190.202 3
Mid Mid (pH 6-8) 1.80 7.11 -33.37 1 4 1 45 191.21 3

Vendor Notes

Note Type Comments Provided By
melting_point 87 - 88 KeyOrganics
MP 87-88° Matrix Scientific
Purity 95% Fluorochem
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.