UCSF

ZINC21802157

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) -1.27 -0.25 -47.54 4 4 1 70 180.231 3
Hi High (pH 8-9.5) -1.27 -0.56 -10.61 3 4 0 68 179.223 3
Lo Low (pH 4.5-6) -1.27 0.19 -93.68 5 4 2 71 181.239 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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