UCSF

ZINC71549127

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 16 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) 2.41 6.03 -30.41 2 2 1 16 239.77 2
Lo Low (pH 4.5-6) 2.41 7.38 -108.07 3 2 2 21 240.778 2
Lo Low (pH 4.5-6) 2.41 5.63 -37.72 2 2 1 20 239.77 2

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

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