UCSF

ZINC19735499

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) 1.43 7.05 -111.79 3 4 2 37 304.482 5
Hi High (pH 8-9.5) 1.43 5.78 -37.62 2 4 1 33 303.474 5
Lo Low (pH 4.5-6) 1.43 7.21 -93.8 3 4 2 37 304.482 5
Lo Low (pH 4.5-6) 1.43 9.47 -188.81 4 4 3 38 305.49 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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