UCSF

ZINC54697103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.02 1.85 -10.48 3 5 0 77 218.26 2
Lo Low (pH 4.5-6) 1.02 2.39 -27.29 4 5 1 78 219.268 2

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

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