UCSF

ZINC39494472

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 35 No

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) 4.78 8.7 -20.8 1 8 0 124 515.609 11
Hi High (pH 8-9.5) 4.41 6.57 -57.45 0 8 -1 130 514.601 11

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

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