UCSF

ZINC19672361

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) -0.22 -0.29 -49.35 3 4 1 51 186.279 1
Hi High (pH 8-9.5) -0.22 -0.55 -6.79 2 4 0 50 185.271 1
Mid Mid (pH 6-8) -0.22 2.13 -111.28 4 4 2 52 187.287 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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