UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12027472
12027472
12282171
12282171
12282172
12282172
12282173
12282173
12282176
12282176

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Popular Name: N-[[(2S)-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]cyclopropanecarboxamide N-[[(2S)-7-pyrimidin-2-yl-2,3-di…

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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) 1.88 -2.35 -14.49 1 5 0 64 295.342 4 ↓

Analogs

12282171
12282171
12282172
12282172
12282173
12282173
12282176
12282176
15071312
15071312

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Popular Name: N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]cyclopropanecarboxamide N-[[(2R)-7-pyrimidin-2-yl-2,3-di…

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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) 1.88 -2.35 -14.27 1 5 0 64 295.342 4 ↓

Analogs

12029794
12029794

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-5-fluoro-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]cyclopropanecarboxamide N-[[(2S)-5-fluoro-7-pyrimidin-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) 1.99 -1.61 -13.93 1 5 0 64 313.332 4 ↓

Analogs

12029791
12029791

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-5-fluoro-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]cyclopropanecarboxamide N-[[(2R)-5-fluoro-7-pyrimidin-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.99 -1.61 -13.87 1 5 0 64 313.332 4 ↓

Parameters Provided:

ring.id = 78053
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 78053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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