UCSF

ZINC20075693

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) 1.46 5.8 -5.03 3 4 0 62 233.315 2
Lo Low (pH 4.5-6) 1.46 4.72 -31.74 4 4 1 63 234.323 2
Lo Low (pH 4.5-6) 1.46 4.83 -31.89 4 4 1 63 234.323 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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