UCSF

ZINC49238705

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.52 5.73 -33.96 2 4 1 43 249.334 5
Hi High (pH 8-9.5) 1.52 3.46 -9.77 1 4 0 42 248.326 5

Activity (Go SEA)

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