UCSF

ZINC05115747

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) 2.69 5.27 -17.28 1 5 0 60 255.277 3
Mid Mid (pH 6-8) 2.69 5.78 -27.63 2 5 1 61 256.285 3
Lo Low (pH 4.5-6) 2.69 6.03 -91.63 3 5 2 63 257.293 3
Lo Low (pH 4.5-6) 2.69 5.61 -35.01 2 5 1 61 256.285 3

Activity (Go SEA)

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