UCSF

ZINC41646589

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 2.64 7.13 -12.3 0 6 0 69 374.396 3
Lo Low (pH 4.5-6) 2.64 7.6 -44.74 1 6 1 70 375.404 3

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

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