UCSF

ZINC52538635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 25 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) 3.48 7.78 -41.37 1 5 -1 74 375.426 4
Mid Mid (pH 6-8) 2.60 8.62 -49.06 1 5 -1 68 375.426 5
Mid Mid (pH 6-8) 2.56 9.53 -12.85 2 5 0 67 376.434 5

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

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