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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: 4-[(2-chloro-3-quinolyl)methyl]-1,4-thiazepane 4-[(2-chloro-3-quinolyl)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) 2.23 3.92 -16.73 0 4 0 50 324.833 2 ↓
Lo Low (pH 4.5-6) 2.23 5.73 -61.16 1 4 1 51 325.841 2 ↓

Analogs

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Popular Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-1-(1,1-dioxo-1,4-thiazepan-4-yl)propan-1-one (2S)-2-(4-chloro-2-methyl-phenox…

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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 6.11 -16.16 0 5 0 64 345.848 3 ↓

Analogs

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Popular Name: (2R)-2-(4-chloro-2-methyl-phenoxy)-1-(1,1-dioxo-1,4-thiazepan-4-yl)propan-1-one (2R)-2-(4-chloro-2-methyl-phenox…

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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 6.25 -18.36 0 5 0 64 345.848 3 ↓

Analogs

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Popular Name: (1,1-dioxo-1,4-thiazepan-4-yl)-[5-(4-fluorophenyl)-2-furyl]methanone (1,1-dioxo-1,4-thiazepan-4-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) 2.25 5.95 -12.86 0 5 0 68 337.372 2 ↓

Analogs

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Popular Name: (1,1-dioxo-1,4-thiazepan-4-yl)-(5-fluoro-3-methyl-benzothiophen-2-yl)methanone (1,1-dioxo-1,4-thiazepan-4-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) 1.66 5.34 -12.56 0 4 0 54 341.429 1 ↓

Analogs

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Popular Name: 4-[[4-(2-pyridylmethoxy)phenyl]methyl]-1,4-thiazepane 4-[[4-(2-pyridylmethoxy)phenyl]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) 1.75 6.49 -61.54 1 5 1 61 347.46 5 ↓
Mid Mid (pH 6-8) 1.75 4.63 -14.72 0 5 0 60 346.452 5 ↓

Analogs

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Popular Name: (2S)-N-(3-chlorophenyl)-2-(1,1-dioxo-1,4-thiazepan-4-yl)propanamide (2S)-N-(3-chlorophenyl)-2-(1,1-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) 1.66 4.44 -59.89 2 5 1 68 331.845 3 ↓
Mid Mid (pH 6-8) 1.66 2.4 -17.9 1 5 0 66 330.837 3 ↓

Analogs

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Popular Name: (2R)-N-(3-chlorophenyl)-2-(1,1-dioxo-1,4-thiazepan-4-yl)propanamide (2R)-N-(3-chlorophenyl)-2-(1,1-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) 1.66 4.24 -60.7 2 5 1 68 331.845 3 ↓
Mid Mid (pH 6-8) 1.66 2.57 -19.04 1 5 0 66 330.837 3 ↓

Analogs

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Popular Name: 4-[3-(4-fluorophenoxy)propyl]-1,4-thiazepane 4-[3-(4-fluorophenoxy)propyl]-1,…

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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) 1.99 4.39 -12.66 0 4 0 47 301.383 5 ↓
Mid Mid (pH 6-8) 1.99 5.86 -57.56 1 4 1 48 302.391 5 ↓

Analogs

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Popular Name: [3-(difluoromethoxy)-4-methoxy-phenyl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone [3-(difluoromethoxy)-4-methoxy-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) 0.64 2.93 -20.58 0 6 0 73 349.355 4 ↓

Analogs

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Popular Name: [(2R)-1-benzylpyrrolidin-2-yl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone [(2R)-1-benzylpyrrolidin-2-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) 1.01 6.98 -53.62 1 5 1 59 337.465 3 ↓
Hi High (pH 8-9.5) 1.01 4.87 -17.18 0 5 0 58 336.457 3 ↓

Analogs

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Popular Name: [(2S)-1-benzylpyrrolidin-2-yl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone [(2S)-1-benzylpyrrolidin-2-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) 1.01 6.69 -50.16 1 5 1 59 337.465 3 ↓
Hi High (pH 8-9.5) 1.01 4.73 -15.58 0 5 0 58 336.457 3 ↓

Analogs

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Popular Name: (2S)-2-(1,1-dioxo-1,4-thiazepan-4-yl)-N-(4-nitrophenyl)propanamide (2S)-2-(1,1-dioxo-1,4-thiazepan-…

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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) 0.97 4.92 -62.76 2 8 1 114 342.397 4 ↓
Hi High (pH 8-9.5) 1.15 3.16 -36.58 1 8 0 120 341.389 4 ↓
Mid Mid (pH 6-8) 0.97 3.56 -19.82 1 8 0 112 341.389 4 ↓

Analogs

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Popular Name: (2R)-2-(1,1-dioxo-1,4-thiazepan-4-yl)-N-(4-nitrophenyl)propanamide (2R)-2-(1,1-dioxo-1,4-thiazepan-…

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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) 0.97 4.44 -70.2 2 8 1 114 342.397 4 ↓
Hi High (pH 8-9.5) 1.15 2.84 -41.24 1 8 0 120 341.389 4 ↓
Mid Mid (pH 6-8) 0.97 2.77 -22.24 1 8 0 112 341.389 4 ↓

Analogs

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Popular Name: (1,1-dioxo-1,4-thiazepan-4-yl)-(3-phenoxyphenyl)methanone (1,1-dioxo-1,4-thiazepan-4-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) 2.17 6.27 -17.61 0 5 0 64 345.42 3 ↓

Parameters Provided:

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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 = 389538 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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