UCSF

ZINC34926373

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) 1.87 8.11 -56.85 0 5 -1 64 315.393 4
Mid Mid (pH 6-8) 1.87 10.32 -65.42 1 5 0 65 316.401 4
Lo Low (pH 4.5-6) 1.87 8.56 -45.96 2 5 1 62 317.409 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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