UCSF

ZINC54746675

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 11 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) -0.73 0.69 -59.39 3 5 1 71 154.197 2
Hi High (pH 8-9.5) -0.73 0.31 -9.22 2 5 0 70 153.189 2

Activity (Go SEA)

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

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