UCSF

ZINC19519892

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) 0.62 6.03 -71.5 1 5 -1 82 232.215 3
Mid Mid (pH 6-8) 0.62 5.2 -30.54 2 5 0 85 233.223 3
Mid Mid (pH 6-8) 1.92 4.77 -133.01 0 5 -2 85 231.207 3
Lo Low (pH 4.5-6) 1.92 4.17 -41.43 2 5 0 84 233.223 3

Vendor Notes

Note Type Comments Provided By
MP 285° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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