UCSF

ZINC40232445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 30 Yes

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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) 5.50 12.85 -14.49 0 5 0 46 422.912 9
Lo Low (pH 4.5-6) 5.50 13.51 -37.29 1 5 1 47 423.92 9

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

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