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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36617445
36617445

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Popular Name: 6-(3,4-dimethylphenyl)-3-methyl-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine 6-(3,4-dimethylphenyl)-3-methyl-…

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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) 4.59 7.32 -8.03 0 3 0 39 306.287 2 ↓

Analogs

20605105
20605105
20605809
20605809

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Popular Name: 6-(4-isopropylphenyl)-3-methyl-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine 6-(4-isopropylphenyl)-3-methyl-4…

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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) 5.28 7.9 -7.44 0 3 0 39 320.314 3 ↓

Analogs

20605555
20605555

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Popular Name: 6-(4-bromophenyl)-3-methyl-4-(trifluoromethyl)isoxazolo[5,4-b]pyridine 6-(4-bromophenyl)-3-methyl-4-(tr…

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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) 4.58 6.59 -7.39 0 3 0 39 357.129 2 ↓

Analogs

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Popular Name: 3-methyl-N-(2-oxo-2-propylamino-ethyl)-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide 3-methyl-N-(2-oxo-2-propylamino-…

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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) 2.55 3.59 -15 2 7 0 97 352.394 6 ↓

Analogs

13012971
13012971
36618406
36618406
36618486
36618486

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Popular Name: 6-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxamide 6-(4-fluorophenyl)-N-[(1R)-2-met…

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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) 2.54 4.35 -11.54 1 6 0 77 343.358 5 ↓

Analogs

36618406
36618406
36618486
36618486
13012970
13012970

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Popular Name: 6-(4-fluorophenyl)-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxamide 6-(4-fluorophenyl)-N-[(1S)-2-met…

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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) 2.54 4.35 -12.25 1 6 0 77 343.358 5 ↓

Analogs

26261088
26261088
36618339
36618339
36618369
36618369
36618385
36618385
36618387
36618387

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Popular Name: 6-(2-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxamide 6-(2-fluorophenyl)-N-(2-methoxye…

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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) 2.16 3.41 -20.32 1 6 0 77 329.331 5 ↓

Analogs

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Popular Name: 6-(2-fluorophenyl)-N-(3-methoxypropyl)-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxamide 6-(2-fluorophenyl)-N-(3-methoxyp…

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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) 2.43 4.17 -21.59 1 6 0 77 343.358 6 ↓

Analogs

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Popular Name: N-(3-ethoxypropyl)-6-(2-fluorophenyl)-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(3-ethoxypropyl)-6-(2-fluoroph…

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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) 2.81 5.53 -19.94 1 6 0 77 357.385 7 ↓

Analogs

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Popular Name: N,N-diethyl-3-methyl-6-[2-(trifluoromethyl)phenyl]isoxazolo[5,4-b]pyridine-4-carboxamide N,N-diethyl-3-methyl-6-[2-(trifl…

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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) 3.44 9.62 -17.74 0 5 0 59 377.366 5 ↓

Analogs

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Popular Name: 6-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxo-ethyl]-3-methyl-isoxazolo[5,4-b]pyridine-4-carbo 6-(4-fluorophenyl)-N-[2-(2-metho…

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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) 1.82 1.91 -14.1 2 8 0 106 386.383 7 ↓

Analogs

25513919
25513919

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Popular Name: 6-(2-fluorophenyl)-N-isobutyl-3-methyl-N-(2,2,2-trifluoroethyl)isoxazolo[5,4-b]pyridine-4-carboxamid 6-(2-fluorophenyl)-N-isobutyl-3-…

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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) 4.00 8.95 -18.74 0 5 0 59 409.383 6 ↓

Analogs

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Popular Name: N,N-diethyl-3-methyl-6-(p-tolyl)isoxazolo[5,4-b]pyridine-4-carboxamide N,N-diethyl-3-methyl-6-(p-tolyl)…

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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) 3.04 7.72 -12.21 0 5 0 59 323.396 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.80 5.39 -15.61 1 7 0 94 393.321 6 ↓

Analogs

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Popular Name: N-ethyl-N-[2-(ethylamino)-2-oxo-ethyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-b]pyridin N-ethyl-N-[2-(ethylamino)-2-oxo-…

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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) 3.07 6.76 -18.48 1 7 0 88 434.418 7 ↓

Analogs

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Popular Name: 3-methyl-6-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-b]pyridine-4-carboxamide 3-methyl-6-[3-(trifluoromethyl)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) 2.56 2.93 -17.61 2 5 0 82 321.258 3 ↓

Analogs

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Popular Name: N-[3-(isopropylamino)-3-oxo-propyl]-3-methyl-6-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-b]pyridine-4 N-[3-(isopropylamino)-3-oxo-prop…

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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) 2.98 5.2 -25.37 2 7 0 97 434.418 7 ↓

Analogs

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Popular Name: N,N-bis(2-methoxyethyl)-3-methyl-6-[3-(trifluoromethyl)phenyl]isoxazolo[5,4-b]pyridine-4-carboxamide N,N-bis(2-methoxyethyl)-3-methyl…

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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) 2.68 6.37 -14.14 0 7 0 78 437.418 9 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.57 6.72 -12.81 0 5 0 65 336.269 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-3-methyl-6-[2-(trifluoromethyl)phenyl]isoxazolo[5,4-b]pyridine-4-carboxamide N-(2-amino-2-oxo-ethyl)-3-methyl…

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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) 1.64 3.03 -19.63 3 7 0 111 378.31 5 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-3-methyl-6-(p-tolyl)isoxazolo[5,4-b]pyridine-4-carboxamide N-(2-amino-2-oxo-ethyl)-3-methyl…

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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) 1.24 1.11 -14.66 3 7 0 111 324.34 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-6-(4-fluorophenyl)-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(2-amino-2-oxo-ethyl)-6-(4-flu…

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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) 0.96 0.52 -14.56 3 7 0 111 328.303 4 ↓

Parameters Provided:

ring.id = 16344
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 = 16344 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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