UCSF

ZINC60022173

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 46 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) 8.72 21.21 -12.28 0 6 0 65 613.754 15
Mid Mid (pH 6-8) 8.72 23.23 -52.9 1 6 1 66 614.762 15

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

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