UCSF

ZINC56874892

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 30 No

Download: MOL2 SDF SMILES Flexibase

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) -3.87 -2.08 -215.72 10 11 3 169 434.558 9
Hi High (pH 8-9.5) -3.87 -2.49 -133.6 9 11 2 168 433.55 9
Hi High (pH 8-9.5) -3.87 -1.22 -103.31 9 11 2 168 433.55 9
Hi High (pH 8-9.5) -3.87 -1.5 -46.42 8 11 1 166 432.542 9

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

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