UCSF

ZINC55059255

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 Yes

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) 2.99 9.55 -37.5 1 4 1 34 297.463 7
Hi High (pH 8-9.5) 2.99 8.01 -4.1 0 4 0 33 296.455 7
Lo Low (pH 4.5-6) 2.99 11.57 -118.6 2 4 2 35 298.471 7

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

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