UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide N-[[2-(diethylaminomethyl)phenyl…

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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) 1.90 8.67 -42.93 3 6 1 83 382.484 7 ↓
Hi High (pH 8-9.5) 2.36 7.63 -42.99 2 6 0 87 381.476 7 ↓

Analogs

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Popular Name: 7,7-dimethyl-N-(m-tolylmethyl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide 7,7-dimethyl-N-(m-tolylmethyl)-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) 2.71 6.98 -18.88 2 5 0 79 338.407 3 ↓
Hi High (pH 8-9.5) 3.17 6.3 -55.23 1 5 -1 82 337.399 3 ↓

Analogs

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Popular Name: (7R)-N-[(4-methoxyphenyl)methyl]-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (7R)-N-[(4-methoxyphenyl)methyl]…

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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) 1.93 5.28 -19.43 2 6 0 88 340.379 4 ↓
Hi High (pH 8-9.5) 2.38 4.6 -54.85 1 6 -1 91 339.371 4 ↓

Analogs

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Popular Name: (7S)-N-[(4-methoxyphenyl)methyl]-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (7S)-N-[(4-methoxyphenyl)methyl]…

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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) 1.93 5.28 -19.35 2 6 0 88 340.379 4 ↓
Hi High (pH 8-9.5) 2.38 4.6 -54.79 1 6 -1 91 339.371 4 ↓

Analogs

6664844
6664844

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Popular Name: (7R)-N-benzyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (7R)-N-benzyl-7-methyl-2,5-dioxo…

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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) 1.87 5.98 -18.72 2 5 0 79 310.353 3 ↓
Hi High (pH 8-9.5) 2.33 5.3 -54.72 1 5 -1 82 309.345 3 ↓

Analogs

6664844
6664844

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Popular Name: (7S)-N-benzyl-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (7S)-N-benzyl-7-methyl-2,5-dioxo…

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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) 1.87 5.98 -18.69 2 5 0 79 310.353 3 ↓
Hi High (pH 8-9.5) 2.33 5.3 -54.7 1 5 -1 82 309.345 3 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide N-[(3-fluorophenyl)methyl]-7,7-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) 2.42 6.38 -18.79 2 5 0 79 342.37 3 ↓
Hi High (pH 8-9.5) 2.88 5.7 -54.52 1 5 -1 82 341.362 3 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide N-[(2-fluorophenyl)methyl]-7,7-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) 2.40 6.33 -20.84 2 5 0 79 342.37 3 ↓
Hi High (pH 8-9.5) 2.86 5.65 -58.11 1 5 -1 82 341.362 3 ↓

Analogs

35506371
35506371
35506374
35506374

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Popular Name: (7R)-N-[(4-chlorophenyl)methyl]-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (7R)-N-[(4-chlorophenyl)methyl]-…

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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 6.5 -17.64 2 5 0 79 344.798 3 ↓
Hi High (pH 8-9.5) 3.01 5.82 -52.44 1 5 -1 82 343.79 3 ↓

Analogs

35506371
35506371
35506374
35506374

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Popular Name: (7S)-N-[(4-chlorophenyl)methyl]-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (7S)-N-[(4-chlorophenyl)methyl]-…

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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 6.5 -17.61 2 5 0 79 344.798 3 ↓
Hi High (pH 8-9.5) 3.01 5.82 -52.42 1 5 -1 82 343.79 3 ↓

Analogs

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Popular Name: (7R)-N-[(2-fluorophenyl)methyl]-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (7R)-N-[(2-fluorophenyl)methyl]-…

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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) 1.99 6 -21.04 2 5 0 79 328.343 3 ↓
Hi High (pH 8-9.5) 2.44 5.32 -57.37 1 5 -1 82 327.335 3 ↓

Analogs

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Popular Name: (7S)-N-[(2-fluorophenyl)methyl]-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (7S)-N-[(2-fluorophenyl)methyl]-…

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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) 1.99 6 -20.81 2 5 0 79 328.343 3 ↓
Hi High (pH 8-9.5) 2.44 5.32 -57.58 1 5 -1 82 327.335 3 ↓

Parameters Provided:

ring.id = 15975
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 = 15975 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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