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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: [(3S)-1,1-dioxo-3-(1,4-thiazepan-4-yl)thiolan-3-yl]methanamine [(3S)-1,1-dioxo-3-(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) -0.60 -0.03 -66.93 3 4 1 65 265.424 2 ↓
Hi High (pH 8-9.5) -0.60 -0.71 -11.68 2 4 0 63 264.416 2 ↓
Lo Low (pH 4.5-6) -0.60 1.36 -153.54 4 4 2 66 266.432 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1,1-dioxo-3-(1,4-thiazepan-4-yl)thiolan-3-yl]methanamine [(3R)-1,1-dioxo-3-(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) -0.60 -0.06 -63.91 3 4 1 65 265.424 2 ↓
Hi High (pH 8-9.5) -0.60 -0.34 -10.61 2 4 0 63 264.416 2 ↓
Lo Low (pH 4.5-6) -0.60 1.27 -139.43 4 4 2 66 266.432 2 ↓

Analogs

42444438
42444438

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Popular Name: (3R,4S)-1,1-dioxo-4-(1,4-thiazepan-4-yl)thiolan-3-ol (3R,4S)-1,1-dioxo-4-(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) -0.40 0.89 -51.07 2 4 1 59 252.381 1 ↓
Mid Mid (pH 6-8) -0.40 -0.88 -12.38 1 4 0 58 251.373 1 ↓

Analogs

42444436
42444436

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-1,1-dioxo-4-(1,4-thiazepan-4-yl)thiolan-3-ol (3R,4R)-1,1-dioxo-4-(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) -0.40 0.16 -47.51 2 4 1 59 252.381 1 ↓
Mid Mid (pH 6-8) -0.40 -1.74 -12.91 1 4 0 58 251.373 1 ↓

Parameters Provided:

ring.id = 321106
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 = 321106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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