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Analogs

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Popular Name: 2-methyl-5-(1-oxo-1,4-thiazinan-4-yl)aniline 2-methyl-5-(1-oxo-1,4-thiazinan-…

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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) 0.76 2.68 -14.49 2 3 0 46 224.329 1 ↓

Analogs

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Popular Name: 5-nitro-2-(1-oxo-1,4-thiazinan-4-yl)aniline 5-nitro-2-(1-oxo-1,4-thiazinan-4…

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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) 0.27 3.65 -16.9 2 6 0 92 255.299 2 ↓

Analogs

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Popular Name: [5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methanamine [5-chloro-2-(1-oxo-1,4-thiazinan…

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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) 0.69 3.22 -67.79 3 3 1 48 259.782 2 ↓

Analogs

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Popular Name: 5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarbothioamide 5-chloro-2-(1-oxo-1,4-thiazinan-…

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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) 1.30 4.51 -13.08 2 3 0 46 288.825 2 ↓

Analogs

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Popular Name: 5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzonitrile 5-chloro-2-(1-oxo-1,4-thiazinan-…

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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) 1.26 5.36 -20.84 0 3 0 44 254.742 1 ↓

Analogs

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Popular Name: 5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzamidine 5-chloro-2-(1-oxo-1,4-thiazinan-…

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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) -0.11 2.91 -51.19 4 4 1 72 272.781 2 ↓
Mid Mid (pH 6-8) -0.11 3.87 -11.03 3 4 0 70 271.773 2 ↓

Analogs

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Popular Name: 5-chloro-N'-hydroxy-2-(1-oxo-1,4-thiazinan-4-yl)benzamidine 5-chloro-N'-hydroxy-2-(1-oxo-1,4…

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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) -0.18 1.85 -16.38 3 5 0 79 287.772 2 ↓
Lo Low (pH 4.5-6) -0.18 1.76 -52.42 4 5 1 81 288.78 2 ↓

Analogs

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Popular Name: 2-chloro-N'-hydroxy-6-(1-oxo-1,4-thiazinan-4-yl)benzamidine 2-chloro-N'-hydroxy-6-(1-oxo-1,4…

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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) -0.20 1.41 -16.87 3 5 0 79 287.772 2 ↓
Lo Low (pH 4.5-6) -0.20 1.35 -48.35 4 5 1 81 288.78 2 ↓

Analogs

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Popular Name: 2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)benzamidine 2-chloro-6-(1-oxo-1,4-thiazinan-…

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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) -0.13 2.46 -46.59 4 4 1 72 272.781 2 ↓
Mid Mid (pH 6-8) -0.13 2.59 -15.85 3 4 0 70 271.773 2 ↓

Analogs

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Popular Name: 2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)benzenecarbothioamide 2-chloro-6-(1-oxo-1,4-thiazinan-…

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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) 1.28 4.35 -18.4 2 3 0 46 288.825 2 ↓

Analogs

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Popular Name: 2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)benzonitrile 2-chloro-6-(1-oxo-1,4-thiazinan-…

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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) 1.24 5.26 -23.66 0 3 0 44 254.742 1 ↓

Analogs

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Popular Name: [4-chloro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methanamine [4-chloro-2-(1-oxo-1,4-thiazinan…

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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) 0.69 3.26 -70.66 3 3 1 48 259.782 2 ↓

Analogs

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Popular Name: 4-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzoic 4-chloro-2-(1-oxo-1,4-thiazinan-…

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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) 1.60 6.12 -43.85 0 4 -1 60 272.733 2 ↓

Analogs

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Popular Name: 4-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarbothioamide 4-chloro-2-(1-oxo-1,4-thiazinan-…

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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) 1.30 4.51 -15.05 2 3 0 46 288.825 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzamidine 4-chloro-2-(1-oxo-1,4-thiazinan-…

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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) -0.11 2.9 -54.02 4 4 1 72 272.781 2 ↓
Mid Mid (pH 6-8) -0.11 3.87 -12.53 3 4 0 70 271.773 2 ↓

Analogs

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Popular Name: 4-chloro-N'-hydroxy-2-(1-oxo-1,4-thiazinan-4-yl)benzamidine 4-chloro-N'-hydroxy-2-(1-oxo-1,4…

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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) -0.18 1.83 -16.52 3 5 0 79 287.772 2 ↓
Lo Low (pH 4.5-6) -0.18 1.77 -54.74 4 5 1 81 288.78 2 ↓

Analogs

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Popular Name: 4-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzonitrile 4-chloro-2-(1-oxo-1,4-thiazinan-…

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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) 1.26 5.37 -18.97 0 3 0 44 254.742 1 ↓

Analogs

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Popular Name: [3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]methanamine [3-chloro-4-(1-oxo-1,4-thiazinan…

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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) 0.69 3.02 -59 3 3 1 48 259.782 2 ↓
Hi High (pH 8-9.5) 0.69 2.61 -15.27 2 3 0 46 258.774 2 ↓

Analogs

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Popular Name: 3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)benzonitrile 3-chloro-4-(1-oxo-1,4-thiazinan-…

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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) 1.26 5.38 -17.93 0 3 0 44 254.742 1 ↓

Analogs

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Popular Name: 3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)benzamidine 3-chloro-4-(1-oxo-1,4-thiazinan-…

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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) -0.11 2.87 -47.46 4 4 1 72 272.781 2 ↓

Analogs

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Popular Name: 3-chloro-N'-hydroxy-4-(1-oxo-1,4-thiazinan-4-yl)benzamidine 3-chloro-N'-hydroxy-4-(1-oxo-1,4…

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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) -0.18 1.66 -20.68 3 5 0 79 287.772 2 ↓
Lo Low (pH 4.5-6) -0.18 1.61 -48.7 4 5 1 81 288.78 2 ↓

Analogs

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Popular Name: 3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)benzenecarbothioamide 3-chloro-4-(1-oxo-1,4-thiazinan-…

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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) 1.30 4.2 -21.18 2 3 0 46 288.825 2 ↓

Analogs

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Popular Name: 3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)benzoic 3-chloro-4-(1-oxo-1,4-thiazinan-…

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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) 1.42 5.55 -57.98 0 4 -1 60 272.733 2 ↓

Analogs

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Popular Name: 4-(2-fluoro-4-nitro-phenyl)-1,4-thiazinane 4-(2-fluoro-4-nitro-phenyl)-1,4-…

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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) 0.95 5.25 -20.31 0 5 0 66 258.274 2 ↓

Analogs

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Popular Name: 4-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzoic 4-amino-2-(1-oxo-1,4-thiazinan-4…

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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) -0.01 3.47 -50.74 2 5 -1 86 253.303 2 ↓
Lo Low (pH 4.5-6) -0.01 1.49 -13.31 3 5 0 84 254.311 2 ↓

Analogs

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Popular Name: 4-(4-fluoro-2-nitro-phenyl)-1,4-thiazinane 4-(4-fluoro-2-nitro-phenyl)-1,4-…

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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) 0.95 5.78 -13.26 0 5 0 66 258.274 2 ↓

Analogs

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Popular Name: 4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1,4-thiazinane 4-[5-chloro-2-nitro-4-(trifluoro…

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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) 2.29 7.14 -12.71 0 5 0 66 342.726 3 ↓

Parameters Provided:

ring.id = 6668
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 6668 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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