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

Analogs

14244960
14244960
14244961
14244961
14244962
14244962

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Popular Name: (2S)-N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxam (2S)-N-[(2S)-2-dimethylamino-2-(…

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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) 2.65 8.44 -58.28 3 5 1 63 388.488 5 ↓

Analogs

14244961
14244961
14244962
14244962
14244959
14244959

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Popular Name: (2R)-N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxam (2R)-N-[(2S)-2-dimethylamino-2-(…

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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) 2.65 8.51 -58.08 3 5 1 63 388.488 5 ↓

Analogs

14244962
14244962
14244959
14244959
14244960
14244960

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxam (2S)-N-[(2R)-2-dimethylamino-2-(…

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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) 2.65 8.76 -55.96 3 5 1 63 388.488 5 ↓

Analogs

14244959
14244959
14244960
14244960
14244961
14244961

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxam (2R)-N-[(2R)-2-dimethylamino-2-(…

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Activity (Go SEA)

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) 2.65 8.82 -56.06 3 5 1 63 388.488 5 ↓

Analogs

14252249
14252249
14252252
14252252
14252255
14252255
18019085
18019085
12883851
12883851

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Popular Name: (2S)-N-[(2S)-2-dimethylamino-2-phenyl-ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (2S)-N-[(2S)-2-dimethylamino-2-p…

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Activity (Go SEA)

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) 2.51 8.26 -49.04 3 5 1 63 370.498 5 ↓

Analogs

14252252
14252252
14252255
14252255
16259321
16259321
16259322
16259322
16259324
16259324

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-dimethylamino-2-phenyl-ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (2R)-N-[(2S)-2-dimethylamino-2-p…

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Activity (Go SEA)

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) 2.51 8.05 -52.94 3 5 1 63 370.498 5 ↓

Analogs

14252255
14252255
16259321
16259321
16259322
16259322
16259324
16259324
18019085
18019085

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2R)-2-dimethylamino-2-phenyl-ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (2S)-N-[(2R)-2-dimethylamino-2-p…

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Activity (Go SEA)

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) 2.51 8.41 -54.44 3 5 1 63 370.498 5 ↓

Analogs

16259321
16259321
16259322
16259322
16259324
16259324
18019085
18019085
12883851
12883851

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2R)-2-dimethylamino-2-phenyl-ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (2R)-N-[(2R)-2-dimethylamino-2-p…

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Activity (Go SEA)

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) 2.51 8.75 -51.81 3 5 1 63 370.498 5 ↓

Analogs

41468416
41468416

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Popular Name: N-[(2S)-2-hydroxy-2-(p-tolyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-[(2S)-2-hydroxy-2-(p-tolyl)eth…

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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) 1.79 3.93 -12.82 3 5 0 78 342.42 4 ↓
Mid Mid (pH 6-8) 2.05 0.02 -37.73 4 5 1 87 343.428 4 ↓

Analogs

41468415
41468415

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-hydroxy-2-(p-tolyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-[(2R)-2-hydroxy-2-(p-tolyl)eth…

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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) 1.79 4.01 -12.66 3 5 0 78 342.42 4 ↓
Ref Reference (pH 7) 2.05 -1.27 -9.53 3 5 0 85 342.42 4 ↓
Mid Mid (pH 6-8) 2.05 0.1 -38.21 4 5 1 87 343.428 4 ↓

Parameters Provided:

ring.id = 238103
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 = 238103 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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