UCSF

ZINC40235845

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 32 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) 6.19 15.02 -16.47 0 5 0 47 427.548 8
Lo Low (pH 4.5-6) 6.19 15.67 -35.35 1 5 1 49 428.556 8

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

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