UCSF

ZINC52361529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 27 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) 0.07 6.71 -53.84 3 9 1 113 371.421 6
Hi High (pH 8-9.5) 0.07 4.3 -18.29 2 9 0 112 370.413 6

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

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