UCSF

ZINC19702469

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) 1.19 1.7 -6.29 1 5 0 43 280.368 7
Mid Mid (pH 6-8) 1.19 3.06 -41.96 2 5 1 48 281.376 7
Lo Low (pH 4.5-6) 1.19 3.97 -37.63 2 5 1 44 281.376 7

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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