UCSF

ZINC19789696

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 -4 -52.9 3 5 1 74 223.318 4
Hi High (pH 8-9.5) -1.27 -4.95 -12.92 2 5 0 70 222.31 4
Mid Mid (pH 6-8) -1.27 -0.97 -88.74 3 5 1 78 223.318 4
Mid Mid (pH 6-8) -1.27 -2.68 -46.46 3 5 1 71 223.318 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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