UCSF

ZINC49227973

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 4.54 9.57 -8.1 1 4 0 42 292.452 3
Mid Mid (pH 6-8) 4.54 10.08 -22.31 2 4 1 43 293.46 3

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

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