UCSF

ZINC21948217

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) 1.98 5.79 -47.55 2 4 -1 79 251.262 3
Hi High (pH 8-9.5) 1.98 5.85 -98.98 1 4 -2 77 250.254 3
Lo Low (pH 4.5-6) 1.98 6.25 -44.38 3 4 0 80 252.27 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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