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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: 7-(1,3-benzothiazol-2-yl)-4-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol 7-(1,3-benzothiazol-2-yl)-4-[(2-…

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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) 4.83 7.58 -11.01 1 5 0 55 418.518 4 ↓

Analogs

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Popular Name: 7-(1,3-benzothiazol-2-yl)-4-[(3-chlorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol 7-(1,3-benzothiazol-2-yl)-4-[(3-…

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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) 5.47 8.65 -11.42 1 4 0 46 422.937 3 ↓

Analogs

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Popular Name: 4-[(2-allyloxyphenyl)methyl]-7-(1,3-benzothiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol 4-[(2-allyloxyphenyl)methyl]-7-(…

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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) 5.47 9.04 -10.93 1 5 0 55 444.556 6 ↓

Analogs

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Popular Name: 7-(1,3-benzothiazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine 7-(1,3-benzothiazol-2-yl)-4-[(3,…

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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) 5.38 10.33 -12.16 0 4 0 35 438.499 4 ↓

Analogs

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Popular Name: 7-(1,3-benzothiazol-2-yl)-4-[(3,4-difluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol 7-(1,3-benzothiazol-2-yl)-4-[(3,…

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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) 5.07 8.26 -13.58 1 4 0 46 424.472 3 ↓

Analogs

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Popular Name: 7-(1,3-benzothiazol-2-yl)-4-[(2,5-difluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol 7-(1,3-benzothiazol-2-yl)-4-[(2,…

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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) 5.07 8.36 -11.46 1 4 0 46 424.472 3 ↓

Analogs

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Popular Name: 7-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol 7-(1,3-benzothiazol-2-yl)-4-[(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) 4.88 7.43 -11.18 1 5 0 55 418.518 4 ↓

Analogs

12156522
12156522

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Popular Name: 7-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine 7-(1,3-benzothiazol-2-yl)-4-[(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) 5.29 10.27 -10.87 0 4 0 35 420.509 4 ↓

Analogs

12097598
12097598

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Popular Name: 7-(1,3-benzothiazol-2-yl)-4-benzyl-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine 7-(1,3-benzothiazol-2-yl)-4-benz…

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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) 5.13 10.21 -9.97 0 4 0 35 402.519 4 ↓

Analogs

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Popular Name: 7-(1,3-benzothiazol-2-yl)-4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol 7-(1,3-benzothiazol-2-yl)-4-benz…

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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) 4.82 8.13 -9.82 1 4 0 46 388.492 3 ↓

Analogs

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Popular Name: 7-(1,3-benzothiazol-2-yl)-4-(o-tolylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol 7-(1,3-benzothiazol-2-yl)-4-(o-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) 5.22 8.87 -9.59 1 4 0 46 402.519 3 ↓

Analogs

12097598
12097598

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Popular Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-ethoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine 7-(1,3-benzothiazol-2-yl)-4-[(2-…

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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) 5.51 10.52 -10.95 0 5 0 44 446.572 6 ↓

Parameters Provided:

ring.id = 46976
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 = 46976 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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