UCSF

ZINC34926959

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) 2.55 7.76 -45.13 5 4 1 64 249.363 2
Ref Reference (pH 7) 2.55 7.66 -44.76 5 4 1 64 249.363 2
Mid Mid (pH 6-8) 2.68 7.42 -47.22 5 4 1 62 249.363 2
Mid Mid (pH 6-8) 2.68 7.48 -11.05 4 4 0 60 248.355 2
Mid Mid (pH 6-8) 2.68 7.48 -10.78 4 4 0 60 248.355 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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