UCSF

ZINC15446601

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) -1.34 0.16 -32.61 5 4 1 79 137.166 1
Mid Mid (pH 6-8) -1.34 0.54 -92.36 6 4 2 80 138.174 1
Mid Mid (pH 6-8) -1.34 0.87 -91.49 6 4 2 80 138.174 1
Lo Low (pH 4.5-6) -2.04 0.71 -92.63 6 4 2 78 138.174 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.