UCSF

ZINC00129901

Annotations

Vendors

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) -0.25 4.66 -38.17 3 3 0 68 244.088 3
Hi High (pH 8-9.5) -0.25 4.34 -43.95 2 3 -1 66 243.08 3

Vendor Notes

Note Type Comments Provided By
melting_point 235 - 236 (dec) KeyOrganics
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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