UCSF

ZINC40232353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 29 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) 5.02 13.22 -14.29 0 5 0 47 393.531 9
Lo Low (pH 4.5-6) 5.02 13.74 -31.91 1 5 1 49 394.539 9

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

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