UCSF

ZINC00901694

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) -3.96 -1.63 -91.34 6 4 1 95 119.144 3
Hi High (pH 8-9.5) -3.96 -2.01 -38.23 5 4 0 94 118.136 3
Mid Mid (pH 6-8) -3.96 -1.93 -59.17 5 4 0 94 118.136 3

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 198? dec. Alfa-Aesar
Melting_Point ca 198° dec. Alfa-Aesar
Melting_Point ca 200? dec. Alfa-Aesar
Melting_Point ca 200° dec. Alfa-Aesar

Activity (Go SEA)

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