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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-cyclopropyl-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]thiazole-5-carbaldehyde 4-cyclopropyl-2-[(2R)-2-methyl-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) 2.19 7.27 -8.94 0 4 0 42 266.366 3 ↓

Analogs

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Popular Name: 4-cyclopropyl-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]thiazole-5-carbaldehyde 4-cyclopropyl-2-[(2S)-2-methyl-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) 2.19 7.27 -8.93 0 4 0 42 266.366 3 ↓

Analogs

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Popular Name: 4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazole-5-carbaldehyde 4-cyclopropyl-2-(1,4-oxazepan-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) 1.83 6.08 -11.28 0 4 0 42 252.339 3 ↓

Analogs

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Popular Name: [4-cyclopropyl-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]methanamine [4-cyclopropyl-2-[(2R)-2-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) 1.58 5.58 -47.63 3 4 1 53 268.406 3 ↓
Mid Mid (pH 6-8) 1.58 5.18 -5.58 2 4 0 51 267.398 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-cyclopropyl-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]methanamine [4-cyclopropyl-2-[(2S)-2-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) 1.58 5.59 -47.36 3 4 1 53 268.406 3 ↓
Mid Mid (pH 6-8) 1.58 5.19 -5.63 2 4 0 51 267.398 3 ↓

Analogs

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Popular Name: 1-[4-cyclopropyl-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]-N-methyl-methanamine 1-[4-cyclopropyl-2-[(2R)-2-methy…

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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) 1.96 7.45 -41.7 2 4 1 42 282.433 4 ↓
Hi High (pH 8-9.5) 1.96 6 -5.2 1 4 0 37 281.425 4 ↓

Analogs

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Popular Name: 1-[4-cyclopropyl-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]-N-methyl-methanamine 1-[4-cyclopropyl-2-[(2S)-2-methy…

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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) 1.96 7.46 -41.47 2 4 1 42 282.433 4 ↓
Hi High (pH 8-9.5) 1.96 6.02 -5.19 1 4 0 37 281.425 4 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]methyl]ethanamine N-[[4-cyclopropyl-2-[(2R)-2-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) 2.34 8.29 -40.7 2 4 1 42 296.46 5 ↓
Hi High (pH 8-9.5) 2.34 6.92 -4.88 1 4 0 37 295.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-cyclopropyl-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]methyl]ethanamine N-[[4-cyclopropyl-2-[(2S)-2-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) 2.34 8.32 -40.44 2 4 1 42 296.46 5 ↓
Hi High (pH 8-9.5) 2.34 6.95 -4.86 1 4 0 37 295.452 5 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]methyl]propan-1-amine N-[[4-cyclopropyl-2-[(2R)-2-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) 2.84 9.05 -41.39 2 4 1 42 310.487 6 ↓
Hi High (pH 8-9.5) 2.84 7.69 -4.74 1 4 0 37 309.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-cyclopropyl-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]methyl]propan-1-amine N-[[4-cyclopropyl-2-[(2S)-2-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) 2.84 9.07 -41.21 2 4 1 42 310.487 6 ↓
Hi High (pH 8-9.5) 2.84 7.71 -4.77 1 4 0 37 309.479 6 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]methyl]propan-2-amine N-[[4-cyclopropyl-2-[(2R)-2-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) 2.63 8.83 -38.67 2 4 1 42 310.487 5 ↓
Hi High (pH 8-9.5) 2.63 7.62 -4.86 1 4 0 37 309.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-cyclopropyl-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]methyl]propan-2-amine N-[[4-cyclopropyl-2-[(2S)-2-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) 2.63 8.84 -38.45 2 4 1 42 310.487 5 ↓
Hi High (pH 8-9.5) 2.63 7.63 -4.94 1 4 0 37 309.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazol-5-yl]methanamine [4-cyclopropyl-2-(1,4-oxazepan-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) 1.22 4.39 -48.63 3 4 1 53 254.379 3 ↓
Mid Mid (pH 6-8) 1.22 4 -7.95 2 4 0 51 253.371 3 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[4-cyclopropyl-2-(1,4-oxazepa…

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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) 2.72 8.99 -41.29 2 4 1 42 310.487 6 ↓
Hi High (pH 8-9.5) 2.72 7.77 -4.9 1 4 0 37 309.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazol-5-yl]-N-methyl-methanamine 1-[4-cyclopropyl-2-(1,4-oxazepan…

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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 6.68 -41.79 2 4 1 42 268.406 4 ↓
Hi High (pH 8-9.5) 1.60 5.24 -5.42 1 4 0 37 267.398 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazol-5-yl]methyl]ethanamine N-[[4-cyclopropyl-2-(1,4-oxazepa…

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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) 1.97 7.54 -40.8 2 4 1 42 282.433 5 ↓
Hi High (pH 8-9.5) 1.97 6.17 -5.25 1 4 0 37 281.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazol-5-yl]methyl]propan-1-amine N-[[4-cyclopropyl-2-(1,4-oxazepa…

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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 8.3 -41.52 2 4 1 42 296.46 6 ↓
Hi High (pH 8-9.5) 2.47 6.94 -5.13 1 4 0 37 295.452 6 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[4-cyclopropyl-2-(1,4-oxazepa…

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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) 2.78 8.49 -36.83 2 4 1 42 310.487 5 ↓
Hi High (pH 8-9.5) 2.78 7.27 -4.95 1 4 0 37 309.479 5 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazol-5-yl]methyl]-2-methoxy-ethanamine N-[[4-cyclopropyl-2-(1,4-oxazepa…

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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) 1.58 6.68 -41.25 2 5 1 51 312.459 7 ↓
Mid Mid (pH 6-8) 1.58 5.33 -6.36 1 5 0 47 311.451 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazol-5-yl]methyl]propan-2-amine N-[[4-cyclopropyl-2-(1,4-oxazepa…

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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) 2.27 8.07 -38.76 2 4 1 42 296.46 5 ↓
Hi High (pH 8-9.5) 2.27 6.86 -5.09 1 4 0 37 295.452 5 ↓

Analogs

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Popular Name: 4-cyclopropyl-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]thiazole-5-carboxylic 4-cyclopropyl-2-[(2R)-2-methyl-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) 1.97 8.08 -52.86 0 5 -1 65 281.357 3 ↓
Mid Mid (pH 6-8) 1.97 8.39 -39.56 1 5 0 67 282.365 3 ↓

Analogs

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Popular Name: 4-cyclopropyl-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]thiazole-5-carboxylic 4-cyclopropyl-2-[(2S)-2-methyl-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) 1.97 8.08 -52.9 0 5 -1 65 281.357 3 ↓
Mid Mid (pH 6-8) 1.97 8.39 -39.58 1 5 0 67 282.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazole-5-carboxylic 4-cyclopropyl-2-(1,4-oxazepan-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) 1.61 6.88 -56.74 0 5 -1 65 267.33 3 ↓
Mid Mid (pH 6-8) 1.61 7.19 -41.17 1 5 0 67 268.338 3 ↓

Analogs

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Popular Name: [4-cyclopropyl-2-[(2R)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]methanol [4-cyclopropyl-2-[(2R)-2-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) 1.74 4.86 -7.74 1 4 0 46 268.382 3 ↓
Mid Mid (pH 6-8) 1.74 5.21 -24.68 2 4 1 47 269.39 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-cyclopropyl-2-[(2S)-2-methyl-1,4-oxazepan-4-yl]thiazol-5-yl]methanol [4-cyclopropyl-2-[(2S)-2-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) 1.74 4.87 -7.91 1 4 0 46 268.382 3 ↓
Mid Mid (pH 6-8) 1.74 5.21 -24.76 2 4 1 47 269.39 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-cyclopropyl-2-(1,4-oxazepan-4-yl)thiazol-5-yl]methanol [4-cyclopropyl-2-(1,4-oxazepan-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) 1.38 3.68 -10.11 1 4 0 46 254.355 3 ↓
Mid Mid (pH 6-8) 1.38 4.01 -24.3 2 4 1 47 255.363 3 ↓

Parameters Provided:

ring.id = 305120
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 305120 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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