UCSF

ZINC54741943

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 18 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) 0.09 3.04 -45.03 3 4 1 55 315.187 0
Mid Mid (pH 6-8) 0.09 3.23 -5.49 2 4 0 54 314.179 0

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

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