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

Analogs

41545337
41545337
41545353
41545353
41545356
41545356

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Popular Name: (2R)-N-(3-tert-butylisoxazol-5-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-tert-butylisoxazol-5-y…

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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) 2.78 4.54 -18.47 2 7 0 93 329.356 3 ↓
Hi High (pH 8-9.5) 2.96 2.28 -49.64 1 7 -1 100 328.348 3 ↓

Analogs

41545353
41545353
41545356
41545356
41545334
41545334

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Popular Name: (2S)-N-(3-tert-butylisoxazol-5-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-tert-butylisoxazol-5-y…

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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) 2.78 5.59 -19.69 2 7 0 93 329.356 3 ↓
Hi High (pH 8-9.5) 2.96 2.34 -61.14 1 7 -1 100 328.348 3 ↓

Analogs

41545349
41545349

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Popular Name: (2S)-2-methyl-3-oxo-N-(3-propylisoxazol-5-yl)-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-(3-propyli…

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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) 2.13 5.23 -19.71 2 7 0 93 315.329 4 ↓
Hi High (pH 8-9.5) 2.31 1.99 -59.84 1 7 -1 100 314.321 4 ↓

Analogs

41545346
41545346

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Popular Name: (2R)-2-methyl-3-oxo-N-(3-propylisoxazol-5-yl)-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-(3-propyli…

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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) 2.13 4.19 -18.5 2 7 0 93 315.329 4 ↓
Hi High (pH 8-9.5) 2.31 1.92 -48.46 1 7 -1 100 314.321 4 ↓

Analogs

41545356
41545356
41545334
41545334
41545337
41545337

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Popular Name: (2S)-N-(3-isopropylisoxazol-5-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-isopropylisoxazol-5-yl…

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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) 2.11 5 -19.53 2 7 0 93 315.329 3 ↓
Hi High (pH 8-9.5) 2.30 1.74 -60.41 1 7 -1 100 314.321 3 ↓

Analogs

41545334
41545334
41545337
41545337
41545353
41545353

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-isopropylisoxazol-5-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-isopropylisoxazol-5-yl…

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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) 2.11 3.93 -18.39 2 7 0 93 315.329 3 ↓
Hi High (pH 8-9.5) 2.30 1.67 -49.03 1 7 -1 100 314.321 3 ↓

Analogs

41545362
41545362

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Popular Name: (2R)-N-[3-(2,2-dimethylpropyl)isoxazol-5-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[3-(2,2-dimethylpropyl)is…

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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) 2.95 5.39 -18.23 2 7 0 93 343.383 4 ↓
Hi High (pH 8-9.5) 3.14 3.12 -49 1 7 -1 100 342.375 4 ↓

Analogs

41545359
41545359

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Popular Name: (2S)-N-[3-(2,2-dimethylpropyl)isoxazol-5-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[3-(2,2-dimethylpropyl)is…

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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) 2.95 6.44 -19.39 2 7 0 93 343.383 4 ↓
Hi High (pH 8-9.5) 3.14 3.18 -60.51 1 7 -1 100 342.375 4 ↓

Analogs

41548496
41548496

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Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-(3-propylisoxazol-5-yl)-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-3-oxo-N-(…

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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) 2.78 5.76 -19.13 2 7 0 93 349.774 4 ↓
Hi High (pH 8-9.5) 2.97 2.51 -55.15 1 7 -1 100 348.766 4 ↓

Analogs

41548494
41548494

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Popular Name: (2R)-6-chloro-2-methyl-3-oxo-N-(3-propylisoxazol-5-yl)-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-3-oxo-N-(…

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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) 2.78 4.7 -18.05 2 7 0 93 349.774 4 ↓
Hi High (pH 8-9.5) 2.97 2.44 -44.32 1 7 -1 100 348.766 4 ↓

Analogs

41548500
41548500

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-(3-isopropylisoxazol-5-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(3-isopropylisox…

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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) 2.76 5.52 -19.01 2 7 0 93 349.774 3 ↓
Hi High (pH 8-9.5) 2.95 2.26 -55.74 1 7 -1 100 348.766 3 ↓

Analogs

41548498
41548498

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-(3-isopropylisoxazol-5-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(3-isopropylisox…

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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) 2.76 4.46 -17.89 2 7 0 93 349.774 3 ↓
Hi High (pH 8-9.5) 2.95 2.19 -44.91 1 7 -1 100 348.766 3 ↓

Analogs

41548503
41548503

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-[3-(2,2-dimethylpropyl)isoxazol-5-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2R)-6-chloro-N-[3-(2,2-dimethyl…

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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) 3.61 5.92 -17.77 2 7 0 93 377.828 4 ↓
Hi High (pH 8-9.5) 3.79 3.63 -44.84 1 7 -1 100 376.82 4 ↓

Analogs

41548501
41548501

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-[3-(2,2-dimethylpropyl)isoxazol-5-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2S)-6-chloro-N-[3-(2,2-dimethyl…

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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) 3.61 6.97 -18.8 2 7 0 93 377.828 4 ↓
Hi High (pH 8-9.5) 3.79 3.71 -55.75 1 7 -1 100 376.82 4 ↓

Parameters Provided:

ring.id = 546832
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 = 546832 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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