UCSF

ZINC49409459

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.17 12.68 -46.44 2 3 1 34 379.911 6
Hi High (pH 8-9.5) 5.17 9.56 -8.2 1 3 0 32 378.903 6

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

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