UCSF

ZINC71505365

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 24 No

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Annotations

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Vendors

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) 1.91 5.06 -8.94 0 8 0 88 335.36 5
Lo Low (pH 4.5-6) 1.91 7.33 -42.83 1 8 1 89 336.368 5

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

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