UCSF

ZINC48526515

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 2.46 6.02 -8.69 0 4 0 44 230.296 2
Lo Low (pH 4.5-6) 2.46 6.36 -27.45 1 4 1 45 231.304 2

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

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