UCSF

ZINC69227588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 24 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) 3.79 8.72 -41.72 2 3 1 34 351.339 5
Mid Mid (pH 6-8) 3.98 6.95 -25.95 1 3 0 40 350.331 5

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

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