UCSF

ZINC41998590

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) -3.53 -0.17 -25.85 2 8 0 104 236.187 2
Mid Mid (pH 6-8) -3.34 -2.78 -56.83 1 8 -1 110 235.179 2

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

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