UCSF

ZINC60572704

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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 3.41 -6.21 0 3 0 19 293.72 4
Mid Mid (pH 6-8) 2.34 5.66 -48.07 1 3 1 21 294.728 4

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

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