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

13648700
13648700

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Popular Name: 3-(azepan-1-ylsulfonyl)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-4-methyl-benzamide 3-(azepan-1-ylsulfonyl)-N-[(1S)-…

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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) 5.90 10.72 -18.56 1 5 0 66 456.652 6 ↓

Analogs

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Popular Name: 5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methyl-benzamide 5-(azepan-1-ylsulfonyl)-N-[(3,4-…

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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) 3.21 8.61 -18.7 0 8 0 85 476.595 8 ↓

Analogs

6308692
6308692

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Popular Name: 5-(azepan-1-ylsulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]-2-methoxy-N-methyl-benzamide 5-(azepan-1-ylsulfonyl)-N-[(2,3-…

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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) 3.38 9.45 -18.03 0 8 0 85 476.595 8 ↓

Analogs

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Popular Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide 5-(azepan-1-ylsulfonyl)-2-methox…

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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) 3.39 9.38 -18.98 0 9 0 95 506.621 9 ↓

Analogs

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Popular Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide 3-(azepan-1-ylsulfonyl)-N-[[4-(m…

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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) 2.36 4.38 -25.25 2 8 0 113 479.624 8 ↓

Analogs

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Popular Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-nitrophenyl)methyl]benzamide 3-(azepan-1-ylsulfonyl)-4-chloro…

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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) 3.82 8.42 -19.35 1 8 0 112 451.932 6 ↓

Analogs

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Popular Name: 3-(azepan-1-ylsulfonyl)-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]benzamide 3-(azepan-1-ylsulfonyl)-N-[[4-(d…

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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) 3.44 7.01 -20.61 1 7 0 85 468.522 8 ↓

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) 2.84 10.61 -19.81 0 8 0 93 488.606 10 ↓

Analogs

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Popular Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]-benzyl-amino]propanoic 3-[[3-(azepan-1-ylsulfonyl)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) 2.52 9.57 -47.83 0 7 -1 98 443.545 8 ↓

Analogs

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Popular Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-benzyl-amino]propanoic 3-[[3-(azepan-1-ylsulfonyl)-4-ch…

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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) 3.15 9.61 -55.23 0 7 -1 98 477.99 8 ↓

Analogs

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Popular Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]-benzyl-amino]propanoic 3-[[5-(azepan-1-ylsulfonyl)-2-me…

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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) 3.08 9.29 -57.61 0 8 -1 107 473.571 9 ↓

Analogs

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Popular Name: 3-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]-benzyl-amino]propanoic 3-[[3-(azepan-1-ylsulfonyl)-4-me…

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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) 2.53 9.31 -49.55 0 8 -1 107 473.571 9 ↓

Analogs

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Popular Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(m-tolylmethyl)benzamide 3-(azepan-1-ylsulfonyl)-4-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) 4.06 8.59 -16.74 1 5 0 66 400.544 5 ↓

Analogs

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Popular Name: 5-(azepan-1-ylsulfonyl)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methoxy-benzamide 5-(azepan-1-ylsulfonyl)-N-[(1S)-…

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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) 6.05 10.91 -13.55 1 6 0 76 472.651 7 ↓

Analogs

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Popular Name: 5-(azepan-1-ylsulfonyl)-N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methoxy-benzamide 5-(azepan-1-ylsulfonyl)-N-[(1R)-…

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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) 6.05 11.23 -14.3 1 6 0 76 472.651 7 ↓

Analogs

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Popular Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(m-tolylmethyl)benzamide 5-(azepan-1-ylsulfonyl)-2-methox…

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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) 4.21 8.74 -14.37 1 6 0 76 416.543 6 ↓

Analogs

15083705
15083705
25565463
25565463

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Popular Name: 4-[[[3-(azepan-1-ylsulfonyl)benzoyl]-methyl-amino]methyl]-N-methyl-benzamide 4-[[[3-(azepan-1-ylsulfonyl)benz…

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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) 2.20 7.53 -21.88 1 7 0 87 443.569 6 ↓

Analogs

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Popular Name: 3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide 3-(azepan-1-ylsulfonyl)-N-[(1R)-…

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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) 4.05 8.19 -17.88 1 5 0 66 422.497 5 ↓

Analogs

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Popular Name: 3-(azepan-1-ylsulfonyl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]benzamide 3-(azepan-1-ylsulfonyl)-N-[(1S)-…

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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) 4.05 8.51 -19.08 1 5 0 66 422.497 5 ↓

Analogs

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Popular Name: 3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]benzamide 3-(azepan-1-ylsulfonyl)-N-[(1R)-…

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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) 4.05 8.48 -16.75 1 5 0 66 422.497 5 ↓

Analogs

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Popular Name: 3-(azepan-1-ylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide 3-(azepan-1-ylsulfonyl)-N-[(1S)-…

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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) 4.05 8.47 -19.31 1 5 0 66 422.497 5 ↓

Analogs

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Popular Name: 3-(azepan-1-ylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-methoxy-benzamide 3-(azepan-1-ylsulfonyl)-N-[(1S)-…

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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) 4.06 8.28 -22.03 1 6 0 76 452.523 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-4-methoxy-benzamide 3-(azepan-1-ylsulfonyl)-N-[(1R)-…

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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) 4.06 7.96 -20.06 1 6 0 76 452.523 6 ↓

Parameters Provided:

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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 = 107531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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