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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20898762
20898762

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Popular Name: (4S)-3-methyl-4-(o-tolyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-3-methyl-4-(o-tolyl)-4,8-di…

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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) 2.11 5.73 -8.34 2 4 0 58 273.361 1 ↓

Analogs

20898760
20898760

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Popular Name: (4R)-3-methyl-4-(o-tolyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-3-methyl-4-(o-tolyl)-4,8-di…

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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) 2.11 5.64 -8.53 2 4 0 58 273.361 1 ↓

Analogs

20898766
20898766

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Popular Name: (4S)-3-methyl-4-(m-tolyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-3-methyl-4-(m-tolyl)-4,8-di…

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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 5.95 -7 2 4 0 58 273.361 1 ↓
Mid Mid (pH 6-8) 2.32 3.49 -6.97 2 4 0 61 273.361 1 ↓
Mid Mid (pH 6-8) 2.13 5.92 -8.35 2 4 0 58 273.361 1 ↓

Analogs

20898764
20898764

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Popular Name: (4R)-3-methyl-4-(m-tolyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-3-methyl-4-(m-tolyl)-4,8-di…

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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 5.93 -7.12 2 4 0 58 273.361 1 ↓
Mid Mid (pH 6-8) 2.32 3.52 -7.17 2 4 0 61 273.361 1 ↓
Mid Mid (pH 6-8) 2.13 5.91 -8.41 2 4 0 58 273.361 1 ↓

Analogs

20898769
20898769

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Popular Name: (4S)-3-methyl-4-(p-tolyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-3-methyl-4-(p-tolyl)-4,8-di…

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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) 2.16 5.92 -7.11 2 4 0 58 273.361 1 ↓
Mid Mid (pH 6-8) 2.34 3.49 -7.1 2 4 0 61 273.361 1 ↓
Mid Mid (pH 6-8) 2.16 5.92 -8.48 2 4 0 58 273.361 1 ↓

Analogs

20898767
20898767

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Popular Name: (4R)-3-methyl-4-(p-tolyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-3-methyl-4-(p-tolyl)-4,8-di…

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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) 2.16 5.94 -7.32 2 4 0 58 273.361 1 ↓
Mid Mid (pH 6-8) 2.34 3.53 -7.3 2 4 0 61 273.361 1 ↓
Mid Mid (pH 6-8) 2.16 5.93 -8.61 2 4 0 58 273.361 1 ↓

Analogs

20898773
20898773

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Popular Name: (4S)-4-(2,4-dimethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-4-(2,4-dimethylphenyl)-3-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) 2.54 6.38 -8.24 2 4 0 58 287.388 1 ↓

Analogs

20898771
20898771

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Popular Name: (4R)-4-(2,4-dimethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-4-(2,4-dimethylphenyl)-3-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) 2.54 5.97 -7.97 2 4 0 58 287.388 1 ↓

Analogs

20898777
20898777

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Popular Name: (4S)-4-(2,5-dimethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-4-(2,5-dimethylphenyl)-3-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) 2.54 6.24 -8.56 2 4 0 58 287.388 1 ↓

Analogs

20898775
20898775

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Popular Name: (4R)-4-(2,5-dimethylphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-4-(2,5-dimethylphenyl)-3-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) 2.54 6.31 -8.43 2 4 0 58 287.388 1 ↓

Analogs

20898781
20898781

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Popular Name: (4S)-3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-3-methyl-4-[2-(trifluoromet…

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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) 2.56 6.03 -9.71 2 4 0 58 327.331 2 ↓

Analogs

20898779
20898779

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-3-methyl-4-[2-(trifluoromet…

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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) 2.56 5.93 -9.84 2 4 0 58 327.331 2 ↓

Analogs

20898785
20898785

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Popular Name: (4R)-4-(2-bromophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-4-(2-bromophenyl)-3-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) 2.47 5.78 -8.84 2 4 0 58 338.23 1 ↓

Analogs

20898783
20898783

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Popular Name: (4S)-4-(2-bromophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-4-(2-bromophenyl)-3-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) 2.47 5.79 -8.99 2 4 0 58 338.23 1 ↓

Analogs

20898789
20898789

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Popular Name: (4S)-4-(4-bromophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-4-(4-bromophenyl)-3-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) 2.52 5.9 -8.75 2 4 0 58 338.23 1 ↓

Analogs

20898787
20898787

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Popular Name: (4R)-4-(4-bromophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-4-(4-bromophenyl)-3-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) 2.52 5.9 -8.76 2 4 0 58 338.23 1 ↓

Analogs

20898813
20898813

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Popular Name: (4R)-4-(2-allyloxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-4-(2-allyloxyphenyl)-3-meth…

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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 6.22 -9.69 2 5 0 67 315.398 4 ↓

Analogs

20898811
20898811

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Popular Name: (4S)-4-(2-allyloxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-4-(2-allyloxyphenyl)-3-meth…

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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 6.36 -10.63 2 5 0 67 315.398 4 ↓

Analogs

20898825
20898825

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Popular Name: (4S)-4-(4-allyloxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-4-(4-allyloxyphenyl)-3-meth…

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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) 2.41 6.11 -9.46 2 5 0 67 315.398 4 ↓

Analogs

20898823
20898823

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Popular Name: (4R)-4-(4-allyloxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-4-(4-allyloxyphenyl)-3-meth…

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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) 2.41 6.13 -10.09 2 5 0 67 315.398 4 ↓

Analogs

20898897
20898897
20898899
20898899
20898901
20898901

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Popular Name: 2-[2-methoxy-4-[(4S)-3-methyl-7-oxo-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-4-yl]phenoxy]acetam 2-[2-methoxy-4-[(4S)-3-methyl-7-…

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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) 0.09 2.42 -22.25 4 8 0 119 362.411 5 ↓

Analogs

20898899
20898899
20898901
20898901
20898895
20898895

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-methoxy-4-[(4R)-3-methyl-7-oxo-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-4-yl]phenoxy]acetam 2-[2-methoxy-4-[(4R)-3-methyl-7-…

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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) 0.09 2.43 -22.33 4 8 0 119 362.411 5 ↓

Analogs

20898901
20898901
20898897
20898897
20898895
20898895

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Popular Name: 2-[2-ethoxy-4-[(4S)-3-methyl-7-oxo-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-4-yl]phenoxy]acetami 2-[2-ethoxy-4-[(4S)-3-methyl-7-o…

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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) 0.46 3.31 -21.78 4 8 0 119 376.438 6 ↓

Analogs

20898897
20898897
20898899
20898899
20898895
20898895

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Popular Name: 2-[2-ethoxy-4-[(4R)-3-methyl-7-oxo-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-4-yl]phenoxy]acetami 2-[2-ethoxy-4-[(4R)-3-methyl-7-o…

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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) 0.46 3.3 -21.71 4 8 0 119 376.438 6 ↓

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ring.id = 81524
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 = 81524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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