UCSF

ZINC54895806

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 17 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) -1.32 0.88 -54.85 3 5 1 78 276.407 2
Mid Mid (pH 6-8) -1.32 0.54 -12.66 2 5 0 76 275.399 2

Activity (Go SEA)

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

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