UCSF

ZINC55460228

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 10 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) -4.09 0.98 -100.79 4 3 2 44 157.242 0
Mid Mid (pH 6-8) -4.09 0.66 -24.18 3 3 1 42 156.234 0

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

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