UCSF

ZINC54743731

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 19 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) 0.75 8.44 -55.62 0 8 -1 109 263.233 5
Mid Mid (pH 6-8) 0.75 8.92 -44.42 1 8 0 110 264.241 5

Activity (Go SEA)

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

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