UCSF

ZINC49424475

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 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) -0.14 2.02 -15.04 3 9 0 122 276.256 5
Hi High (pH 8-9.5) -0.14 1.84 -52.15 2 9 -1 120 275.248 5
Hi High (pH 8-9.5) -0.32 0.86 -50.3 2 9 -1 128 275.248 5

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

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