UCSF

ZINC49567900

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 Yes

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) 1.67 2.91 -44.82 3 4 1 49 277.388 6
Hi High (pH 8-9.5) 1.67 1.98 -5.49 2 4 0 45 276.38 6
Mid Mid (pH 6-8) 1.67 4.46 -36.43 3 4 1 46 277.388 6

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

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