UCSF

ZINC57983828

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.22 4.67 -60.9 3 7 1 84 290.347 6
Hi High (pH 8-9.5) 0.22 2.2 -24.66 2 7 0 83 289.339 6

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

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