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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-(1,4-thiazepan-4-yl)thiazole-5-carbaldehyde 4-cyclopropyl-2-(1,4-thiazepan-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) 2.37 8.07 -10.87 0 3 0 33 268.407 3 ↓

Analogs

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Popular Name: [4-cyclopropyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanamine [4-cyclopropyl-2-(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) 1.76 6.4 -48.84 3 3 1 44 270.447 3 ↓
Mid Mid (pH 6-8) 1.76 6 -7.53 2 3 0 42 269.439 3 ↓

Analogs

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

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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) 3.26 10.4 -41.55 2 3 1 33 326.555 6 ↓
Hi High (pH 8-9.5) 3.26 9.18 -4.73 1 3 0 28 325.547 6 ↓

Analogs

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

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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) 2.14 8.1 -42.03 2 3 1 33 284.474 4 ↓
Hi High (pH 8-9.5) 2.14 6.65 -5.23 1 3 0 28 283.466 4 ↓

Analogs

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

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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) 2.51 8.96 -41.02 2 3 1 33 298.501 5 ↓
Hi High (pH 8-9.5) 2.51 7.59 -5.08 1 3 0 28 297.493 5 ↓

Analogs

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

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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) 3.02 9.71 -41.75 2 3 1 33 312.528 6 ↓
Hi High (pH 8-9.5) 3.02 8.35 -4.93 1 3 0 28 311.52 6 ↓

Analogs

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

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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) 3.32 9.91 -37.15 2 3 1 33 326.555 5 ↓
Hi High (pH 8-9.5) 3.32 8.69 -4.75 1 3 0 28 325.547 5 ↓

Analogs

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

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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) 2.12 8.09 -41.44 2 4 1 42 328.527 7 ↓
Mid Mid (pH 6-8) 2.12 6.74 -6.13 1 4 0 37 327.519 7 ↓

Analogs

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

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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) 2.81 9.48 -39.1 2 3 1 33 312.528 5 ↓
Hi High (pH 8-9.5) 2.81 8.27 -4.89 1 3 0 28 311.52 5 ↓

Analogs

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Popular Name: 4-cyclopropyl-2-(1,4-thiazepan-4-yl)thiazole-5-carboxylic 4-cyclopropyl-2-(1,4-thiazepan-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) 2.15 8.88 -55.75 0 4 -1 56 283.398 3 ↓
Mid Mid (pH 6-8) 2.15 9.21 -41.61 1 4 0 58 284.406 3 ↓

Analogs

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Popular Name: [4-cyclopropyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanol [4-cyclopropyl-2-(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) 1.92 5.68 -9.64 1 3 0 36 270.423 3 ↓
Mid Mid (pH 6-8) 1.92 6.02 -25.24 2 3 1 38 271.431 3 ↓

Parameters Provided:

ring.id = 305081
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 = 305081 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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