UCSF

ZINC52918063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.52 7.16 -34.83 2 4 1 45 307.458 9
Hi High (pH 8-9.5) 2.52 5.16 -9.5 1 4 0 44 306.45 9

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Rings

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