UCSF

ZINC54696842

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 13 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) -1.42 3.34 -45.82 3 4 1 58 181.263 3
Hi High (pH 8-9.5) -1.42 3.01 -6.67 2 4 0 57 180.255 3

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

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