UCSF

ZINC52541552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.38 16.26 -41.37 5 10 1 122 471.593 9
Hi High (pH 8-9.5) 3.38 16.18 -41.55 5 10 1 122 471.593 9
Mid Mid (pH 6-8) 3.38 16.23 -69.87 6 10 2 124 472.601 9
Lo Low (pH 4.5-6) 3.38 16.67 -123.66 7 10 3 125 473.609 9

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

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