UCSF

ZINC22449528

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) 4.91 11.98 -41.47 2 5 1 50 528.623 6
Mid Mid (pH 6-8) 4.91 11.04 -12.77 1 5 0 49 527.615 6
Mid Mid (pH 6-8) 4.91 13.2 -58.28 2 5 1 50 528.623 6
Lo Low (pH 4.5-6) 4.91 13.62 -96.55 3 5 2 51 529.631 6
Lo Low (pH 4.5-6) 4.91 12.4 -75.99 3 5 2 51 529.631 6

Activity (Go SEA)

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