UCSF

ZINC20248649

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) 0.50 0.21 -19.21 2 7 0 87 288.307 3
Hi High (pH 8-9.5) 0.96 -1.68 -58.49 1 7 -1 90 287.299 3
Hi High (pH 8-9.5) 0.96 -1.41 -45.05 1 7 -1 90 287.299 3
Lo Low (pH 4.5-6) 0.32 2.53 -99.76 4 7 2 86 290.323 4
Lo Low (pH 4.5-6) 0.50 2.41 -52.74 3 7 1 88 289.315 3
Lo Low (pH 4.5-6) 0.50 2.53 -40.79 3 7 1 88 289.315 3

Activity (Go SEA)

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