UCSF

ZINC52858176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 20 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) 1.05 5.32 -50.38 1 5 1 59 303.448 6
Hi High (pH 8-9.5) 1.05 2.96 -16.93 0 5 0 58 302.44 6

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

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