UCSF

ZINC41588941

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

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) 3.49 5.47 -10.72 0 8 0 74 498.963 4
Mid Mid (pH 6-8) 3.49 7.73 -49.87 1 8 1 75 499.971 4
Lo Low (pH 4.5-6) 3.49 8.32 -53.66 1 8 1 75 499.971 4

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

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