UCSF

ZINC28257485

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 18 No

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) -1.48 -1.39 -72.34 3 8 -1 131 274.193 6
Mid Mid (pH 6-8) -1.48 -0.24 -163.5 2 8 -2 133 273.185 6

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

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