UCSF

ZINC57910467

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 27 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) 1.90 1.13 -9.18 1 8 0 84 389.447 8
Mid Mid (pH 6-8) 1.90 3.41 -46.5 2 8 1 85 390.455 8

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

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