UCSF

ZINC39324539

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 No

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) 5.27 7.61 -9.67 2 6 0 81 443.547 5
Lo Low (pH 4.5-6) 5.27 7.96 -50.04 3 6 1 82 444.555 5

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