UCSF

ZINC42013838

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 14 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) -0.50 3.19 -44.45 2 5 1 57 197.262 2
Mid Mid (pH 6-8) -0.50 1.83 -12.14 1 5 0 52 196.254 2

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

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