UCSF

ZINC42783820

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) -0.21 1.15 -8.18 4 5 0 82 221.26 2
Lo Low (pH 4.5-6) -0.21 0.14 -26.11 5 5 1 84 222.268 2
Lo Low (pH 4.5-6) -0.21 0.1 -28.34 5 5 1 84 222.268 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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