UCSF

ZINC54965179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 No

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Annotations

Vendors

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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) -1.21 1.06 -82.66 3 5 0 88 214.246 1
Mid Mid (pH 6-8) -1.21 0.74 -50.02 2 5 -1 86 213.238 1

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

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