UCSF

ZINC41587626

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 3.89 5.81 -10.04 0 7 0 64 515.404 5
Mid Mid (pH 6-8) 3.89 8.09 -48.88 1 7 1 66 516.412 5
Lo Low (pH 4.5-6) 3.89 8.67 -52.25 1 7 1 66 516.412 5

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

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