UCSF

ZINC71791797

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2012 10 No

Download: MOL2 SDF SMILES Flexibase

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) -2.53 1.55 -43.39 3 4 0 85 145.158 3
Hi High (pH 8-9.5) -2.53 1.31 -45.9 2 4 -1 83 144.15 3

Activity (Go SEA)

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

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