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

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethylsulfonylphenyl)sulfonyl-1,4-thiazepane 4-(4-ethylsulfonylphenyl)sulfony…

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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) 1.15 3.51 -16.57 0 5 0 72 349.499 4 ↓

Analogs

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Popular Name: 2-fluoro-6-(1,4-thiazepan-4-ylsulfonyl)aniline 2-fluoro-6-(1,4-thiazepan-4-ylsu…

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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) 1.46 3.57 -11.36 2 4 0 63 290.385 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.95 6.53 -12.33 0 5 0 64 329.443 5 ↓

Analogs

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Popular Name: 3-(1,4-thiazepan-4-ylsulfonyl)aniline 3-(1,4-thiazepan-4-ylsulfonyl)an…

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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) 0.96 2.97 -9.43 2 4 0 63 272.395 2 ↓

Analogs

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Popular Name: 4-(1,4-thiazepan-4-ylsulfonyl)aniline 4-(1,4-thiazepan-4-ylsulfonyl)an…

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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) 0.98 2.97 -9.65 2 4 0 63 272.395 2 ↓

Analogs

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Popular Name: 2-(1,4-thiazepan-4-ylsulfonyl)aniline 2-(1,4-thiazepan-4-ylsulfonyl)an…

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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) 1.34 3.53 -10.36 2 4 0 63 272.395 2 ↓

Analogs

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Popular Name: 5-fluoro-2-(1,4-thiazepan-4-ylsulfonyl)aniline 5-fluoro-2-(1,4-thiazepan-4-ylsu…

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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) 1.48 3.6 -9.82 2 4 0 63 290.385 2 ↓

Analogs

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Popular Name: 4-methyl-3-(1,4-thiazepan-4-ylsulfonyl)aniline 4-methyl-3-(1,4-thiazepan-4-ylsu…

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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) 1.36 3.45 -9.84 2 4 0 63 286.422 2 ↓

Analogs

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Popular Name: 4-chloro-3-(1,4-thiazepan-4-ylsulfonyl)aniline 4-chloro-3-(1,4-thiazepan-4-ylsu…

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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) 1.59 3.27 -9.02 2 4 0 63 306.84 2 ↓

Analogs

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Popular Name: 3-chloro-4-(1,4-thiazepan-4-ylsulfonyl)aniline 3-chloro-4-(1,4-thiazepan-4-ylsu…

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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) 1.59 3.28 -9.28 2 4 0 63 306.84 2 ↓

Analogs

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Popular Name: 2-chloro-5-(1,4-thiazepan-4-ylsulfonyl)aniline 2-chloro-5-(1,4-thiazepan-4-ylsu…

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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) 2.00 3.55 -8.36 2 4 0 63 306.84 2 ↓

Analogs

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Popular Name: 2-amino-4-(1,4-thiazepan-4-ylsulfonyl)phenol 2-amino-4-(1,4-thiazepan-4-ylsul…

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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) 1.10 0.24 -9.92 3 5 0 84 288.394 2 ↓
Hi High (pH 8-9.5) 1.10 1 -42.06 2 5 -1 86 287.386 2 ↓

Analogs

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Popular Name: 2-fluoro-5-(1,4-thiazepan-4-ylsulfonyl)aniline 2-fluoro-5-(1,4-thiazepan-4-ylsu…

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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) 1.48 3.06 -8.71 2 4 0 63 290.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-(1,4-thiazepan-4-ylsulfonyl)aniline 2-methyl-3-(1,4-thiazepan-4-ylsu…

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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) 1.74 3.56 -9.96 2 4 0 63 286.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(1,4-thiazepan-4-ylsulfonyl)aniline 5-chloro-2-(1,4-thiazepan-4-ylsu…

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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) 2.00 4.05 -9.54 2 4 0 63 306.84 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-(1,4-thiazepan-4-ylsulfonyl)aniline 4-fluoro-3-(1,4-thiazepan-4-ylsu…

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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) 1.08 2.87 -9.84 2 4 0 63 290.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-(1,4-thiazepan-4-ylsulfonyl)aniline 3-methyl-5-(1,4-thiazepan-4-ylsu…

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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) 1.36 3.63 -9.35 2 4 0 63 286.422 2 ↓

Analogs

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Popular Name: 3-bromo-4-(1,4-thiazepan-4-ylsulfonyl)aniline 3-bromo-4-(1,4-thiazepan-4-ylsul…

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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) 1.72 3.9 -13.2 2 4 0 63 351.291 2 ↓

Analogs

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Popular Name: 5-methyl-2-(1,4-thiazepan-4-ylsulfonyl)aniline 5-methyl-2-(1,4-thiazepan-4-ylsu…

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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 4.19 -10.31 2 4 0 63 286.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-(1,4-thiazepan-4-ylsulfonyl)aniline 3-methyl-4-(1,4-thiazepan-4-ylsu…

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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) 1.36 3.43 -10.05 2 4 0 63 286.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(1,4-thiazepan-4-ylsulfonyl)aniline 5-bromo-2-(1,4-thiazepan-4-ylsul…

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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 4.15 -9.48 2 4 0 63 351.291 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-2-(1,4-thiazepan-4-ylsulfonyl)aniline 3-methyl-2-(1,4-thiazepan-4-ylsu…

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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) 1.74 4.22 -8.25 2 4 0 63 286.422 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-(1,4-thiazepan-4-ylsulfonyl)aniline 4-fluoro-2-(1,4-thiazepan-4-ylsu…

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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) 1.48 3.56 -9.3 2 4 0 63 290.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(1,4-thiazepan-4-ylsulfonyl)aniline 4-chloro-2-(1,4-thiazepan-4-ylsu…

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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) 2.00 4.01 -8.95 2 4 0 63 306.84 2 ↓

Analogs

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Popular Name: 4-bromo-2-(1,4-thiazepan-4-ylsulfonyl)aniline 4-bromo-2-(1,4-thiazepan-4-ylsul…

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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 4.12 -8.83 2 4 0 63 351.291 2 ↓

Analogs

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Popular Name: [4-(1,4-thiazepan-4-ylsulfonyl)phenyl]hydrazine [4-(1,4-thiazepan-4-ylsulfonyl)p…

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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) 1.15 2.78 -9.95 3 5 0 75 287.41 3 ↓

Analogs

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Popular Name: [2-(1,4-thiazepan-4-ylsulfonyl)phenyl]hydrazine [2-(1,4-thiazepan-4-ylsulfonyl)p…

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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) 1.10 3.28 -11.37 3 5 0 75 287.41 3 ↓

Analogs

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Popular Name: [4-(1,4-thiazepan-4-ylsulfonyl)phenyl]methanamine [4-(1,4-thiazepan-4-ylsulfonyl)p…

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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) 1.09 3.13 -56.67 3 4 1 65 287.43 3 ↓
Hi High (pH 8-9.5) 1.09 2.73 -9.08 2 4 0 63 286.422 3 ↓

Analogs

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Popular Name: 4-(1,4-thiazepan-4-ylsulfonyl)phenol 4-(1,4-thiazepan-4-ylsulfonyl)ph…

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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) 1.43 2.24 -9.6 1 4 0 58 273.379 2 ↓
Hi High (pH 8-9.5) 1.43 3 -43.13 0 4 -1 60 272.371 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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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 = 185499 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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