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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2R)-N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (2R)-N-(2,5-dimethylpyrazol-3-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) 1.64 8.23 -16.44 1 6 0 67 330.413 2 ↓
Hi High (pH 8-9.5) 1.82 5.42 -56.12 0 6 -1 74 329.405 2 ↓

Analogs

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Popular Name: (2S)-N-(2,5-dimethylpyrazol-3-yl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (2S)-N-(2,5-dimethylpyrazol-3-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) 1.64 6.91 -15 1 6 0 67 330.413 2 ↓
Hi High (pH 8-9.5) 1.82 5.47 -46.12 0 6 -1 74 329.405 2 ↓

Analogs

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Popular Name: (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2,5-dimethylpyrazol-3-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) 1.40 6.72 -16.08 2 6 0 76 316.386 2 ↓

Analogs

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Popular Name: (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2,5-dimethylpyrazol-3-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) 1.40 5.3 -14.49 2 6 0 76 316.386 2 ↓

Analogs

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

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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) 1.77 7.59 -15.98 2 6 0 76 330.413 3 ↓

Analogs

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

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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) 1.77 6.16 -14.25 2 6 0 76 330.413 3 ↓

Analogs

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Popular Name: (2S)-N-(2-isopropyl-5-methyl-pyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2-isopropyl-5-methyl-pyr…

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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 8.32 -15.69 2 6 0 76 344.44 3 ↓

Analogs

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Popular Name: (2R)-N-(2-isopropyl-5-methyl-pyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2-isopropyl-5-methyl-pyr…

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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 6.9 -14.03 2 6 0 76 344.44 3 ↓

Analogs

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Popular Name: (2S)-2-methyl-N-(5-methyl-2-propyl-pyrazol-3-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-N-(5-methyl-2-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) 2.27 8.34 -15.59 2 6 0 76 344.44 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-N-(5-methyl-2-propyl-pyrazol-3-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-N-(5-methyl-2-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) 2.27 6.92 -13.82 2 6 0 76 344.44 4 ↓

Analogs

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Popular Name: (2S)-N-[2-(1-ethylpropyl)pyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[2-(1-ethylpropyl)pyrazol…

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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) 2.92 9.47 -15.34 2 6 0 76 358.467 5 ↓

Analogs

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Popular Name: (2R)-N-[2-(1-ethylpropyl)pyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[2-(1-ethylpropyl)pyrazol…

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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) 2.92 8.05 -13.64 2 6 0 76 358.467 5 ↓

Analogs

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Popular Name: (2S)-2-methyl-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-N-[2-[(1R)-1-methy…

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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) 2.42 8.35 -14.95 2 6 0 76 344.44 4 ↓

Analogs

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Popular Name: (2S)-2-methyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-N-[2-[(1S)-1-methy…

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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) 2.42 8.35 -14.97 2 6 0 76 344.44 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-N-[2-[(1R)-1-methy…

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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) 2.42 6.93 -13.29 2 6 0 76 344.44 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-N-[2-[(1S)-1-methy…

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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) 2.42 6.93 -13.31 2 6 0 76 344.44 4 ↓

Parameters Provided:

ring.id = 170900
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 = 170900 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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