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

20763108
20763108
20763113
20763113

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-[(4-dimethylaminophenyl)methyl]acet 2-[(3S)-3-benzyl-2,5-dioxo-3,4-d…

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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) 3.27 9.14 -13.9 2 7 0 82 456.546 7 ↓

Analogs

40564422
40564422
20763113
20763113
20763108
20763108

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide 2-[(3S)-3-benzyl-2,5-dioxo-3,4-d…

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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) 3.80 9.13 -14.17 2 6 0 79 447.922 6 ↓

Analogs

12146319
12146319
20763108
20763108

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]aceta 2-[(3S)-3-benzyl-2,5-dioxo-3,4-d…

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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) 3.89 9.61 -14.43 2 6 0 79 445.494 6 ↓

Analogs

12146319
12146319
20763108
20763108

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]aceta 2-[(3S)-3-benzyl-2,5-dioxo-3,4-d…

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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) 3.89 9.62 -13.92 2 6 0 79 445.494 6 ↓

Analogs

49543597
49543597
20763113
20763113
20763108
20763108

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide 2-[(3S)-3-benzyl-2,5-dioxo-3,4-d…

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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) 3.28 8.73 -15.1 2 6 0 79 431.467 6 ↓

Analogs

20763108
20763108
20763113
20763113

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide N-benzyl-2-[(3S)-3-benzyl-2,5-di…

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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) 3.17 8.71 -13.09 2 6 0 79 413.477 6 ↓

Parameters Provided:

ring.id = 603684
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 = 603684 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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