UCSF

ZINC52575385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 18 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) 1.68 9.46 -85.85 3 4 2 49 249.358 6
Mid Mid (pH 6-8) 1.68 8.95 -45.07 2 4 1 48 248.35 6

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

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