UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5R)-5-[(2-bromobenzoyl)amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (5R)-5-[(2-bromobenzoyl)amino]-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) 0.73 2.85 -23.75 4 6 0 105 390.237 3 ↓

Analogs

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Popular Name: (5S)-5-[(2-bromobenzoyl)amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (5S)-5-[(2-bromobenzoyl)amino]-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) 0.73 2.85 -23.55 4 6 0 105 390.237 3 ↓

Analogs

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Popular Name: (5R)-5-[(2-chlorobenzoyl)amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (5R)-5-[(2-chlorobenzoyl)amino]-…

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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) 0.60 2.73 -24.44 4 6 0 105 345.786 3 ↓

Analogs

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Popular Name: (5S)-5-[(2-chlorobenzoyl)amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (5S)-5-[(2-chlorobenzoyl)amino]-…

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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) 0.60 2.73 -24.22 4 6 0 105 345.786 3 ↓

Analogs

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Popular Name: (5R)-5-[(4-chlorobenzoyl)amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (5R)-5-[(4-chlorobenzoyl)amino]-…

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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 2.75 -21.78 4 6 0 105 345.786 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-[(4-chlorobenzoyl)amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (5S)-5-[(4-chlorobenzoyl)amino]-…

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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 2.75 -21.56 4 6 0 105 345.786 3 ↓

Analogs

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Popular Name: (5R)-5-[(4-methoxybenzoyl)amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (5R)-5-[(4-methoxybenzoyl)amino]…

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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) 0.03 1.53 -22.98 4 7 0 114 341.367 4 ↓

Analogs

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Popular Name: (5S)-5-[(4-methoxybenzoyl)amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (5S)-5-[(4-methoxybenzoyl)amino]…

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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) 0.03 1.53 -22.74 4 7 0 114 341.367 4 ↓

Analogs

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Popular Name: (5R)-5-benzamido-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (5R)-5-benzamido-2-oxo-5,6,7,8-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) -0.03 2.23 -23 4 6 0 105 311.341 3 ↓

Analogs

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Popular Name: (5S)-5-benzamido-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (5S)-5-benzamido-2-oxo-5,6,7,8-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) -0.03 2.23 -22.68 4 6 0 105 311.341 3 ↓

Parameters Provided:

ring.id = 187045
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 = 187045 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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