UCSF

ZINC53477347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 28 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) 3.13 10.13 -52.93 2 7 1 77 379.488 7
Hi High (pH 8-9.5) 3.13 7.66 -14.73 1 7 0 76 378.48 7

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

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