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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-phenyl-2-(1,4-thiazepan-4-yl)thiazole-5-carbaldehyde 4-phenyl-2-(1,4-thiazepan-4-yl)t…

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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) 3.45 9.06 -9.29 0 3 0 33 304.44 3 ↓

Analogs

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Popular Name: 4-phenyl-2-(1,4-thiazepan-4-yl)thiazole-5-carboxylic 4-phenyl-2-(1,4-thiazepan-4-yl)t…

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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) 3.24 8.43 -57.58 0 4 -1 56 319.431 3 ↓
Lo Low (pH 4.5-6) 3.24 8.83 -43.13 1 4 0 58 320.439 3 ↓

Analogs

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

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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) 3.22 9.47 -38.27 2 3 1 33 320.507 4 ↓
Hi High (pH 8-9.5) 3.22 8.82 -6.05 1 3 0 28 319.499 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-phenyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanamine [4-phenyl-2-(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) 2.85 7.6 -43.71 3 3 1 44 306.48 3 ↓
Mid Mid (pH 6-8) 2.85 7.48 -7.23 2 3 0 42 305.472 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-phenyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanol [4-phenyl-2-(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) 3.00 7.08 -9.18 1 3 0 36 306.456 3 ↓
Lo Low (pH 4.5-6) 3.00 7.2 -26.84 2 3 1 38 307.464 3 ↓

Parameters Provided:

ring.id = 376179
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 = 376179 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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