UCSF

ZINC54698230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 17 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) -2.82 1.06 -68.6 3 6 1 93 259.355 5
Mid Mid (pH 6-8) -2.82 0.76 -19.38 2 6 0 91 258.347 5

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

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