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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: (3R,4S)-1,1-dioxo-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)thiolan-3-amine (3R,4S)-1,1-dioxo-4-(1,3,4,5-tet…

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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) 0.36 3.53 -49.11 3 4 1 65 281.401 1 ↓
Hi High (pH 8-9.5) 0.36 2.03 -10.69 2 4 0 63 280.393 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-1,1-dioxo-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)thiolan-3-amine (3R,4R)-1,1-dioxo-4-(1,3,4,5-tet…

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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) 0.36 2.68 -48.93 3 4 1 65 281.401 1 ↓
Hi High (pH 8-9.5) 0.36 0.64 -12.78 2 4 0 63 280.393 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-1,1-dioxo-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)thiolan-3-ol (3R,4S)-1,1-dioxo-4-(1,3,4,5-tet…

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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) 0.86 3.29 -50.87 2 4 1 59 282.385 1 ↓
Hi High (pH 8-9.5) 0.86 3.83 -30.13 1 4 0 62 281.377 1 ↓
Hi High (pH 8-9.5) 0.86 1.26 -12.86 1 4 0 58 281.377 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-1,1-dioxo-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)thiolan-3-ol (3R,4R)-1,1-dioxo-4-(1,3,4,5-tet…

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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) 0.86 2.42 -47.82 2 4 1 59 282.385 1 ↓
Hi High (pH 8-9.5) 0.86 0.38 -13.27 1 4 0 58 281.377 1 ↓
Hi High (pH 8-9.5) 0.86 3.07 -41.47 1 4 0 62 281.377 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1,1-dioxo-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)thiolan-3-yl]methanamine [(3S)-1,1-dioxo-3-(1,3,4,5-tetra…

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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) 0.65 2.08 -62.52 3 4 1 65 295.428 2 ↓
Hi High (pH 8-9.5) 0.65 1.37 -12.05 2 4 0 63 294.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1,1-dioxo-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)thiolan-3-yl]methanamine [(3R)-1,1-dioxo-3-(1,3,4,5-tetra…

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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) 0.65 1.63 -68.88 3 4 1 65 295.428 2 ↓
Hi High (pH 8-9.5) 0.65 1.37 -12.1 2 4 0 63 294.42 2 ↓

Parameters Provided:

ring.id = 314673
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 = 314673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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