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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20614348
20614348
20614350
20614350
20614352
20614352
6694982
6694982
6694983
6694983

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Popular Name: (5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(p-tolyl)propyl]-4,5-dihydroisoxazole-5-carboxamide (5S)-3-(2-methoxyphenyl)-N-[(1R)…

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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 9.57 -20.28 1 5 0 60 352.434 6 ↓

Analogs

20614350
20614350
20614352
20614352
6694982
6694982
6694983
6694983
6695610
6695610

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Popular Name: (5S)-3-(2-methoxyphenyl)-N-[(1S)-1-(p-tolyl)propyl]-4,5-dihydroisoxazole-5-carboxamide (5S)-3-(2-methoxyphenyl)-N-[(1S)…

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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 9.57 -19.57 1 5 0 60 352.434 6 ↓

Analogs

20614352
20614352
6694982
6694982
6694983
6694983
6695610
6695610

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(2-methoxyphenyl)-N-[(1R)-1-(p-tolyl)propyl]-4,5-dihydroisoxazole-5-carboxamide (5R)-3-(2-methoxyphenyl)-N-[(1R)…

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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 9.57 -19.89 1 5 0 60 352.434 6 ↓

Analogs

5073368
5073368
5073370
5073370

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(2-methoxyphenyl)-N-[(1S)-1-(p-tolyl)propyl]-4,5-dihydroisoxazole-5-carboxamide (5R)-3-(2-methoxyphenyl)-N-[(1S)…

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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 9.65 -21.65 1 5 0 60 352.434 6 ↓

Analogs

6696320
6696320
6696321
6696321
6696471
6696471

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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) 2.58 9.87 -24.17 0 8 0 87 412.442 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 2.58 9.73 -22.1 0 8 0 87 412.442 9 ↓

Analogs

41785534
41785534
4408324
4408324
4408325
4408325
4458998
4458998

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Popular Name: (5S)-3-(3-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5-dihydroisoxazole-5-carbox (5S)-3-(3-fluorophenyl)-N-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) 2.00 8.26 -23.28 1 6 0 71 369.396 5 ↓

Analogs

41785532
41785532
5096109
5096109

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Popular Name: (5R)-3-(3-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5-dihydroisoxazole-5-carbox (5R)-3-(3-fluorophenyl)-N-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) 2.00 8.26 -25.85 1 6 0 71 369.396 5 ↓

Analogs

41814165
41814165

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Popular Name: (5S)-N-[(3-cyanophenyl)methyl]-3-(3-fluorophenyl)-N-methyl-4,5-dihydroisoxazole-5-carboxamide (5S)-N-[(3-cyanophenyl)methyl]-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) 2.54 10.36 -27.12 0 5 0 66 337.354 4 ↓

Analogs

41814164
41814164

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Popular Name: (5R)-N-[(3-cyanophenyl)methyl]-3-(3-fluorophenyl)-N-methyl-4,5-dihydroisoxazole-5-carboxamide (5R)-N-[(3-cyanophenyl)methyl]-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) 2.54 10.36 -29.01 0 5 0 66 337.354 4 ↓

Parameters Provided:

ring.id = 29568
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 = 29568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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