UCSF

ZINC49341279

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 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) 1.54 3.73 -16.59 1 6 0 67 298.412 4
Hi High (pH 8-9.5) 1.73 1.94 -45.06 0 6 -1 74 297.404 4
Lo Low (pH 4.5-6) 1.54 4.85 -42.61 2 6 1 69 299.42 4

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

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