UCSF

ZINC23038457

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 33 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) 3.71 6.86 -24.33 2 8 0 104 482.846 8
Hi High (pH 8-9.5) 4.17 6.35 -47.31 1 8 -1 107 481.838 8
Hi High (pH 8-9.5) 3.99 6.14 -51.4 1 8 -1 115 481.838 8
Mid Mid (pH 6-8) 4.17 8.63 -52.37 2 8 0 109 482.846 8
Mid Mid (pH 6-8) 3.71 9.67 -71.58 3 8 1 106 483.854 8

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

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