UCSF

ZINC42062550

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) -0.95 0.33 -5.5 3 3 0 55 182.61 0
Ref Reference (pH 7) -0.95 0.33 -7.32 3 3 0 55 182.61 0
Mid Mid (pH 6-8) -0.95 0.65 -48.49 4 3 1 57 183.618 0
Mid Mid (pH 6-8) -0.95 0.65 -48.45 4 3 1 57 183.618 0

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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