UCSF

ZINC49391059

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 18 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) 3.55 3.6 -38.01 0 3 -1 45 319.214 2
Lo Low (pH 4.5-6) 3.09 5.69 -6.18 1 3 0 42 320.222 2

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

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