UCSF

ZINC48520207

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 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) 1.61 5.92 -130.32 5 4 2 64 277.412 7
Mid Mid (pH 6-8) 1.61 4.63 -38.91 4 4 1 60 276.404 7

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