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Analogs

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Popular Name: 6-[(4-propylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one 6-[(4-propylcyclohexyl)amino]-4H…

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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) 4.79 8.04 -5.43 2 3 0 41 304.459 4 ↓

Analogs

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Popular Name: 6-[(4-methylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one 6-[(4-methylcyclohexyl)amino]-4H…

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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) 3.54 6.62 -5.5 2 3 0 41 276.405 2 ↓

Analogs

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Popular Name: 6-[(4-ethylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one 6-[(4-ethylcyclohexyl)amino]-4H-…

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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) 4.23 6.97 -5.4 2 3 0 41 290.432 3 ↓

Analogs

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Popular Name: 6-[[(1S,2R)-2-methylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S,2R)-2-methylcyclohexyl]a…

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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) 4.01 6.8 -5.33 2 3 0 41 276.405 2 ↓

Analogs

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Popular Name: 6-[[(1S,2S)-2-methylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S,2S)-2-methylcyclohexyl]a…

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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) 4.01 6.49 -5.29 2 3 0 41 276.405 2 ↓

Analogs

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Popular Name: 6-[[(1R,2R)-2-methylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R,2R)-2-methylcyclohexyl]a…

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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) 4.01 6.49 -5.27 2 3 0 41 276.405 2 ↓

Analogs

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Popular Name: 6-[[(1R,2S)-2-methylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R,2S)-2-methylcyclohexyl]a…

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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) 4.01 6.79 -5.31 2 3 0 41 276.405 2 ↓

Analogs

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Popular Name: 6-[[(1S,3R)-3-methylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S,3R)-3-methylcyclohexyl]a…

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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) 3.78 6.34 -5.37 2 3 0 41 276.405 2 ↓

Analogs

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Popular Name: 6-[[(1S,3S)-3-methylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S,3S)-3-methylcyclohexyl]a…

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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) 3.78 6.64 -5.47 2 3 0 41 276.405 2 ↓

Analogs

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Popular Name: 6-[[(1R,3R)-3-methylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R,3R)-3-methylcyclohexyl]a…

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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) 3.78 6.63 -5.46 2 3 0 41 276.405 2 ↓

Analogs

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Popular Name: 6-[[(1R,3S)-3-methylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R,3S)-3-methylcyclohexyl]a…

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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) 3.78 6.33 -5.37 2 3 0 41 276.405 2 ↓

Analogs

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Popular Name: 6-[[(2S,6R)-2,6-dimethylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(2S,6R)-2,6-dimethylcyclohex…

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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) 4.25 7.32 -5.17 2 3 0 41 290.432 2 ↓

Analogs

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Popular Name: 6-[[(2S,6S)-2,6-dimethylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(2S,6S)-2,6-dimethylcyclohex…

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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) 4.25 7.05 -5.25 2 3 0 41 290.432 2 ↓

Analogs

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Popular Name: 6-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(2R,6R)-2,6-dimethylcyclohex…

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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) 4.25 7.04 -5.21 2 3 0 41 290.432 2 ↓

Analogs

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Popular Name: 6-(cyclohexylamino)-4H-1,4-benzothiazin-3-one 6-(cyclohexylamino)-4H-1,4-benzo…

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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) 3.77 5.72 -5.4 2 3 0 41 262.378 2 ↓

Analogs

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Popular Name: 6-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S,5S)-3,3,5-trimethylcyclo…

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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) 4.43 7.19 -5.33 2 3 0 41 304.459 2 ↓

Analogs

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Popular Name: 6-[[(1S,5R)-3,3,5-trimethylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S,5R)-3,3,5-trimethylcyclo…

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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) 4.43 7.79 -5.49 2 3 0 41 304.459 2 ↓

Analogs

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Popular Name: 6-[[(1R,5S)-3,3,5-trimethylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R,5S)-3,3,5-trimethylcyclo…

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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) 4.43 7.79 -5.55 2 3 0 41 304.459 2 ↓

Analogs

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Popular Name: 6-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R,5R)-3,3,5-trimethylcyclo…

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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) 4.43 7.19 -5.26 2 3 0 41 304.459 2 ↓

Analogs

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Popular Name: 6-[[(1S,2R)-2-methoxycyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S,2R)-2-methoxycyclohexyl]…

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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) 3.24 5.08 -6.39 2 4 0 50 292.404 3 ↓

Analogs

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Popular Name: 6-[[(1S,2S)-2-methoxycyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S,2S)-2-methoxycyclohexyl]…

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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) 3.24 4.78 -6.4 2 4 0 50 292.404 3 ↓

Analogs

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Popular Name: 6-[[(1R,2R)-2-methoxycyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R,2R)-2-methoxycyclohexyl]…

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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) 3.24 4.77 -6.4 2 4 0 50 292.404 3 ↓

Analogs

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Popular Name: 6-[[(1R,2S)-2-methoxycyclohexyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R,2S)-2-methoxycyclohexyl]…

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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) 3.24 5.07 -6.38 2 4 0 50 292.404 3 ↓

Parameters Provided:

ring.id = 134191
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 = 134191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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