UCSF

ZINC83921054

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2013 33 No

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) -0.64 -1.33 -57.7 5 10 -1 181 477.877 2
Hi High (pH 8-9.5) -0.06 -0.04 -222.58 4 10 -3 190 475.861 2
Mid Mid (pH 6-8) -0.06 -1.04 -127.73 5 10 -2 187 476.869 2
Mid Mid (pH 6-8) -0.06 1.07 -117.6 6 10 -1 188 477.877 2
Mid Mid (pH 6-8) -0.64 0.64 -72.17 6 10 0 182 478.885 2

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

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