UCSF

ZINC56731989

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 27 Yes

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Annotations

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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) 3.55 9.79 -47.56 2 5 1 56 369.485 5
Mid Mid (pH 6-8) 3.55 7.92 -8.39 1 5 0 55 368.477 5

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

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