UCSF

ZINC52419818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 21 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) 2.09 6.47 -88.11 3 4 2 37 295.471 6
Mid Mid (pH 6-8) 2.09 8.87 -185.78 4 4 3 39 296.479 6
Mid Mid (pH 6-8) 2.09 6.46 -104.19 3 4 2 37 295.471 6

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

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