UCSF

ZINC48944581

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 18 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) -0.71 -2.36 -13.54 3 8 0 105 251.246 4
Hi High (pH 8-9.5) -0.52 -5.02 -44.77 2 8 -1 111 250.238 4

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

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