UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36145997
36145997
36145999
36145999
36146000
36146000
20510005
20510005
20510007
20510007

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Popular Name: N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-8-methyl-4H-chromeno[3,4-d]isoxazole-3-carboxamide N-[(1R,2S,3S)-2,3-dimethylcycloh…

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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) 4.35 7.82 -6.34 1 5 0 64 340.423 2 ↓

Analogs

36145999
36145999
36146000
36146000
36145996
36145996
20510005
20510005
20510007
20510007

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-8-methyl-4H-chromeno[3,4-d]isoxazole-3-carboxamide N-[(1S,2S,3S)-2,3-dimethylcycloh…

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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) 4.35 7.98 -6.35 1 5 0 64 340.423 2 ↓

Analogs

36146000
36146000
36145996
36145996
36145997
36145997
20510005
20510005

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-8-methyl-4H-chromeno[3,4-d]isoxazole-3-carboxamide N-[(1R,2S,3R)-2,3-dimethylcycloh…

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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) 4.35 8.64 -6.29 1 5 0 64 340.423 2 ↓

Analogs

36145996
36145996
36145997
36145997
36145999
36145999

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-8-methyl-4H-chromeno[3,4-d]isoxazole-3-carboxamide N-[(1S,2S,3R)-2,3-dimethylcycloh…

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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) 4.35 8.21 -6.32 1 5 0 64 340.423 2 ↓

Analogs

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Popular Name: 8-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-chromeno[3,4-d]isoxazole-3-carboxamide 8-methyl-N-[3-(2-oxopyrrolidin-1…

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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 6.44 -14.65 1 7 0 85 355.394 5 ↓

Analogs

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Popular Name: 8-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-4H-chromeno[3,4-d]isoxazole-3-carboxamide 8-methyl-N-[2-(4-methylsulfanylp…

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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) 4.20 9.41 -10.14 1 5 0 64 380.469 5 ↓

Analogs

15677630
15677630

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Popular Name: (8-methyl-4H-chromeno[3,4-d]isoxazol-3-yl)-(4-methylpiperazin-1-yl)methanone (8-methyl-4H-chromeno[3,4-d]isox…

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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) 2.10 5.08 -6.87 0 6 0 59 313.357 1 ↓

Analogs

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Popular Name: [3-[(2-chlorophenyl)methyl]hexahydropyrimidin-1-yl]-(8-methyl-4H-chromeno[3,4-d]isoxazol-3-yl)methan [3-[(2-chlorophenyl)methyl]hexah…

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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) 4.39 9.62 -9.02 0 6 0 59 423.9 3 ↓

Analogs

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Popular Name: [3-[(2-fluorophenyl)methyl]hexahydropyrimidin-1-yl]-(8-methyl-4H-chromeno[3,4-d]isoxazol-3-yl)methan [3-[(2-fluorophenyl)methyl]hexah…

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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) 3.87 9.23 -10.04 0 6 0 59 407.445 3 ↓

Analogs

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Popular Name: 4H-chromeno[3,4-d]isoxazole-3-carboxylic acid 4H-chromeno[3,4-d]isoxazole-3-ca…

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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) 1.92 4.99 -47.69 0 5 -1 75 216.172 1 ↓

Parameters Provided:

ring.id = 69797
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 = 69797 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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