UCSF

ZINC41589400

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 3.47 6.99 -11 0 7 0 58 463.578 6
Mid Mid (pH 6-8) 3.47 9.86 -52.76 1 7 1 60 464.586 6
Mid Mid (pH 6-8) 3.47 9.26 -48.11 1 7 1 60 464.586 6
Lo Low (pH 4.5-6) 3.47 10.05 -130.05 2 7 0 61 465.594 6

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

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