UCSF

ZINC39018732

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) 2.26 7.13 -107.62 3 2 2 21 198.354 2
Hi High (pH 8-9.5) 2.26 5.36 -31.63 2 2 1 20 197.346 2
Mid Mid (pH 6-8) 2.26 5.86 -29.1 2 2 1 16 197.346 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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