UCSF

ZINC55104052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 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) 2.30 3.59 -15.84 1 6 0 56 368.89 5
Lo Low (pH 4.5-6) 2.30 6.24 -51.27 2 6 1 57 369.898 5
Lo Low (pH 4.5-6) 2.30 5.8 -51.56 2 6 1 57 369.898 5

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

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