UCSF

ZINC42783324

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) 2.02 5.31 -32.02 2 2 1 16 205.325 4
Hi High (pH 8-9.5) 2.02 4.75 -40.15 2 2 1 20 205.325 4
Lo Low (pH 4.5-6) 2.02 6.72 -108.07 3 2 2 21 206.333 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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