UCSF

ZINC48797192

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 16 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) -0.07 -2.83 -19.41 3 8 0 113 241.232 3
Hi High (pH 8-9.5) -1.11 -3.72 -41.44 2 8 -1 119 240.224 3
Hi High (pH 8-9.5) 0.12 -5.48 -49.84 2 8 -1 119 240.224 3

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

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