UCSF

ZINC53671973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 25 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) 3.67 10.06 -47.04 1 4 1 42 363.547 5
Hi High (pH 8-9.5) 3.67 7.83 -8.09 0 4 0 41 362.539 5

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

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