UCSF

ZINC42783272

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) -0.09 1.27 -101.36 4 3 2 41 174.288 4
Hi High (pH 8-9.5) -0.09 -0.87 -39.77 3 3 1 40 173.28 4
Mid Mid (pH 6-8) -0.09 -0.07 -28.83 3 3 1 37 173.28 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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