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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-phenyl-2-[2-(1,4-thiazepan-4-yl)thiazol-4-yl]ethanamine (1R)-1-phenyl-2-[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) 1.28 8.29 -38.99 3 3 1 44 320.507 4 ↓
Hi High (pH 8-9.5) 1.28 7.89 -5.72 2 3 0 42 319.499 4 ↓
Lo Low (pH 4.5-6) 1.28 8.7 -108.87 4 3 2 45 321.515 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-phenyl-2-[2-(1,4-thiazepan-4-yl)thiazol-4-yl]ethanamine (1S)-1-phenyl-2-[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) 1.28 8.28 -45.06 3 3 1 44 320.507 4 ↓
Hi High (pH 8-9.5) 1.28 7.96 -6.68 2 3 0 42 319.499 4 ↓
Lo Low (pH 4.5-6) 1.28 8.7 -108.84 4 3 2 45 321.515 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-phenyl-2-[2-(1,4-thiazepan-4-yl)thiazol-4-yl]ethanol (1R)-1-phenyl-2-[2-(1,4-thiazepa…

Find On: PubMed — Wikipedia — Google

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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) 2.98 7.73 -7.2 1 3 0 36 320.483 4 ↓
Lo Low (pH 4.5-6) 2.98 8.2 -30.5 2 3 1 38 321.491 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-phenyl-2-[2-(1,4-thiazepan-4-yl)thiazol-4-yl]ethanol (1S)-1-phenyl-2-[2-(1,4-thiazepa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.98 7.82 -7.9 1 3 0 36 320.483 4 ↓
Lo Low (pH 4.5-6) 2.98 8.16 -30.63 2 3 1 38 321.491 4 ↓

Parameters Provided:

ring.id = 158423
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 = 158423 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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