UCSF

ZINC12403730

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) 3.90 3.21 -13.31 3 4 0 76 379.279 3
Ref Reference (pH 7) 3.90 4.41 -10.3 3 4 0 76 379.279 3
Hi High (pH 8-9.5) 3.90 5.18 -48.83 2 4 -1 79 378.271 3
Hi High (pH 8-9.5) 3.90 4.26 -46.35 2 4 -1 79 378.271 3

Activity (Go SEA)

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

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