UCSF

ZINC16123684

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) -0.95 3.75 -11.52 2 4 0 75 146.153 1
Ref Reference (pH 7) -0.95 4.72 -9.27 2 4 0 75 146.153 1
Mid Mid (pH 6-8) -0.95 4.64 -38.15 3 4 1 77 147.161 1
Mid Mid (pH 6-8) -0.95 3.87 -41.59 3 4 1 77 147.161 1
Lo Low (pH 4.5-6) -0.82 3.81 -47 3 4 1 74 147.161 2
Lo Low (pH 4.5-6) -0.95 5.1 -103.18 4 4 2 78 148.169 1
Lo Low (pH 4.5-6) -0.95 4.21 -44.31 3 4 1 76 147.161 1
Lo Low (pH 4.5-6) -0.95 4.33 -99.51 4 4 2 78 148.169 1

Vendor Notes

Note Type Comments Provided By
melting_point 281 - 283 KeyOrganics
MP 281-283° Matrix Scientific
Purity 97% 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.