UCSF

ZINC55061090

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 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) 1.56 4.33 -19.58 2 7 0 88 347.415 8
Hi High (pH 8-9.5) 1.75 1.66 -53.57 1 7 -1 94 346.407 8

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

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