UCSF

ZINC69052130

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 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) 2.05 6.17 -10.94 0 3 0 33 298.408 5
Lo Low (pH 4.5-6) 2.05 7.17 -38.71 1 3 1 34 299.416 5

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

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