UCSF

ZINC19363803

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) -1.13 4.52 -48.75 5 2 1 54 249.284 3
Hi High (pH 8-9.5) -1.13 4.28 -4.56 4 2 0 52 248.276 3
Mid Mid (pH 6-8) -1.13 4.91 -153.45 6 2 2 55 250.292 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 200? Alfa-Aesar
Melting_Point 200° Alfa-Aesar

Activity (Go SEA)

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