UCSF

ZINC54802338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 24 No

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) 5.04 8.69 -38.55 0 3 -1 44 353.492 4
Mid Mid (pH 6-8) 5.04 9.68 -12.47 1 3 0 42 354.5 4

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

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