UCSF

ZINC60022273

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 42 No

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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) 3.82 14.55 -44.31 1 10 1 109 595.694 14
Mid Mid (pH 6-8) 3.82 14.02 -15.78 0 10 0 107 594.686 14

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

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