UCSF

ZINC60482571

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.37 10.9 -48.57 1 4 1 42 351.898 6
Mid Mid (pH 6-8) 3.37 8.75 -15.09 0 4 0 41 350.89 6

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

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