UCSF

ZINC52044135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 14 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) 0.44 5.72 -87.43 5 4 2 54 198.314 5
Hi High (pH 8-9.5) 0.44 3.43 -28.54 4 4 1 53 197.306 5

Activity (Go SEA)

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

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