UCSF

ZINC60120117

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 39 Yes

Popular Name: 1-[4-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxylic 1-[4-[5-[ethyl(methyl)BLAHyl]-2,…

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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) 3.48 16.58 -63.07 1 9 -1 124 520.569 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6107297 IBM Patent Data

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Rings

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

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