UCSF

ZINC66729634

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2011 22 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) 2.34 7.38 -13.33 0 6 0 70 294.314 5
Lo Low (pH 4.5-6) 2.34 7.85 -45.09 1 6 1 71 295.322 5

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

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