UCSF

ZINC52853281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 27 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) 4.07 10.63 -49.03 3 4 1 46 386.947 7
Hi High (pH 8-9.5) 4.07 8.39 -9.75 2 4 0 44 385.939 7

Activity (Go SEA)

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