UCSF

ZINC60569372

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2011 16 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) 1.68 5.41 -6.59 0 3 0 21 233.34 3
Mid Mid (pH 6-8) 1.68 7.57 -41.96 1 3 1 22 234.348 3

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

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