UCSF

ZINC80441402

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) 2.50 7.57 -9.2 1 3 0 42 221.263 2
Mid Mid (pH 6-8) 2.50 7.11 -29.89 2 3 1 43 222.271 2
Lo Low (pH 4.5-6) 2.50 7.57 -86.43 3 3 2 44 223.279 2

Activity (Go SEA)

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

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