UCSF

ZINC35743074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 No

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) 2.81 6.67 -37.86 2 4 1 46 297.806 5
Hi High (pH 8-9.5) 2.81 4.83 -8.31 1 4 0 45 296.798 5

Activity (Go SEA)

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