UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12000373
12000373
40167727
40167727
40167728
40167728
40167739
40167739
40167741
40167741

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Popular Name: 3-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethoxy]-2-phenyl-chromen-4-one 3-[(1R)-1-methyl-2-oxo-2-pyrroli…

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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) 3.84 2.02 -17.21 0 5 0 60 363.413 4 ↓

Analogs

40167727
40167727
40167728
40167728
40167739
40167739
40167741
40167741
40167743
40167743

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Popular Name: 3-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethoxy]-2-phenyl-chromen-4-one 3-[(1S)-1-methyl-2-oxo-2-pyrroli…

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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) 3.84 2.02 -16.01 0 5 0 60 363.413 4 ↓

Analogs

40168165
40168165
40168167
40168167
40168169
40168169
40168171
40168171
40168177
40168177

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Popular Name: 2-(4-tert-butylphenyl)-3-(2-keto-2-pyrrolidino-ethoxy)chromone 2-(4-tert-butylphenyl)-3-(2-keto…

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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) 5.18 2.97 -17.83 0 5 0 59 405.494 5 ↓

Analogs

40168338
40168338
40168340
40168340
40168350
40168350
40168352
40168352
40168354
40168354

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Popular Name: 2-(2-chlorophenyl)-3-(2-keto-2-pyrrolidino-ethoxy)chromone 2-(2-chlorophenyl)-3-(2-keto-2-p…

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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) 4.11 1.68 -17.16 0 5 0 59 383.831 4 ↓

Parameters Provided:

ring.id = 70270
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 = 70270 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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