UCSF

ZINC49342031

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 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) -0.32 -0.97 -56.91 1 8 -1 112 291.334 4
Hi High (pH 8-9.5) -0.14 -2.24 -118.72 0 8 -2 119 290.326 4
Lo Low (pH 4.5-6) -0.32 -1.06 -23.39 2 8 0 110 292.342 4

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

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