UCSF

ZINC36949591

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) -0.41 -1.28 -8.24 4 4 0 79 166.18 2
Ref Reference (pH 7) -0.28 -1.45 -31.82 5 4 1 78 167.188 3
Lo Low (pH 4.5-6) -0.41 -1.46 -31.8 5 4 1 80 167.188 2
Lo Low (pH 4.5-6) -0.41 -1.55 -34.36 5 4 1 80 167.188 2

Activity (Go SEA)

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

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