UCSF

ZINC59414569

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 33 No

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Annotations

Vendors

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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) 8.59 17.37 -53.14 0 5 -1 68 461.663 19
Lo Low (pH 4.5-6) 8.59 15.35 -9.01 1 5 0 65 462.671 19

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

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