UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40564422
40564422
40564426
40564426
40564948
40564948
40564950
40564950
40565114
40565114

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-(4-chlorophenyl)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) 4.01 9.1 -14.11 2 6 0 79 433.895 5 ↓

Analogs

20763113
20763113
20763108
20763108

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-(4-ethoxyphenyl)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) 3.76 8.82 -14.75 2 7 0 88 443.503 7 ↓

Analogs

20763113
20763113
20763108
20763108

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-(2-isopropylphenyl)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) 4.32 10.73 -13.17 2 6 0 79 441.531 6 ↓

Analogs

29133485
29133485
29133483
29133483

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-(4-isopropylphenyl)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) 4.84 10.51 -13.71 2 6 0 79 441.531 6 ↓

Analogs

20763113
20763113
20763108
20763108

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-(4-fluorophenyl)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) 3.49 8.65 -14.73 2 6 0 79 417.44 5 ↓

Analogs

20763113
20763113
20763108
20763108

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-(4-methoxyphenyl)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) 3.39 7.89 -14.87 2 7 0 88 429.476 6 ↓

Analogs

29133485
29133485
29133483
29133483

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-[4-[(1R)-1-methylpropyl]phenyl]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) 5.19 11.17 -13.64 2 6 0 79 455.558 7 ↓

Analogs

29133485
29133485
29133483
29133483

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-[4-[(1S)-1-methylpropyl]phenyl]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) 5.19 11.17 -13.69 2 6 0 79 455.558 7 ↓

Analogs

29133153
29133153

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Popular Name: 3-[[2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]acetyl]amino]benzamide 3-[[2-[(3S)-3-benzyl-2,5-dioxo-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) 2.13 5.37 -25.09 4 8 0 122 442.475 6 ↓

Analogs

40565195
40565195
40565197
40565197
40762651
40762651
29133161
29133161
29133163
29133163

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-(3-chloro-4-methoxy-phenyl)acetamid 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) 3.99 8.44 -17.65 2 7 0 88 463.921 6 ↓

Analogs

13429859
13429859

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Popular Name: N-(4-acetamidophenyl)-2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide N-(4-acetamidophenyl)-2-[(3S)-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) 2.55 7.48 -23.12 3 8 0 108 456.502 6 ↓

Analogs

49543597
49543597
49543599
49543599
29133483
29133483

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-(2-ethylphenyl)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) 4.20 10.27 -13.47 2 6 0 79 427.504 6 ↓

Parameters Provided:

ring.id = 603675
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 = 603675 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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