UCSF

ZINC59110816

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 2.39 5.87 -8.38 5 7 0 109 359.474 2
Mid Mid (pH 6-8) 2.39 6.75 -40.1 6 7 1 110 360.482 2

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

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