UCSF

ZINC49424375

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 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) 1.43 5.08 -13.41 1 6 0 77 353.201 2
Hi High (pH 8-9.5) 1.50 5.29 -61.67 0 6 -1 83 352.193 2

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

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