UCSF

ZINC52838958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 27 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) 4.27 8.65 -34.57 4 5 1 75 388.557 8
Hi High (pH 8-9.5) 4.27 7.62 -10.38 3 5 0 70 387.549 8

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

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