UCSF

ZINC67540127

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 24 Yes

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) -0.05 4.54 -62.68 3 8 1 94 332.432 5
Hi High (pH 8-9.5) -0.05 3.48 -12.34 2 8 0 90 331.424 5

Activity (Go SEA)

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

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