UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-chloroprop-2-enyl)-6,7-dimethoxy-3-[(2-thienylmethylamino)methyl]quinolin-2-one 1-(2-chloroprop-2-enyl)-6,7-dime…

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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) 3.06 0.08 -47.15 2 5 1 57 405.927 8 ↓

Analogs

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Popular Name: N-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-N-(2-thenyl)acetamide N-[(2-keto-6,7-dimethoxy-1H-quin…

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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) 1.17 -0.38 -12.59 1 6 0 71 372.446 6 ↓

Analogs

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Popular Name: 7-fluoro-3-[[2-methoxyethyl-[(3-methyl-2-thienyl)methyl]amino]methyl]-1H-quinolin-2-one 7-fluoro-3-[[2-methoxyethyl-[(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) 2.69 6.56 -12.09 1 4 0 45 360.454 7 ↓
Lo Low (pH 4.5-6) 2.69 8.66 -33.56 2 4 1 47 361.462 7 ↓

Analogs

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Popular Name: 7-fluoro-3-[[isobutyl-[(3-methyl-2-thienyl)methyl]amino]methyl]-1H-quinolin-2-one 7-fluoro-3-[[isobutyl-[(3-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) 3.83 10.91 -37.04 2 3 1 37 359.49 6 ↓
Mid Mid (pH 6-8) 3.83 8.99 -9.81 1 3 0 36 358.482 6 ↓

Analogs

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Popular Name: 3-[[[(1S)-1-(2-thienyl)propyl]amino]methyl]quinolin-2-ol 3-[[[(1S)-1-(2-thienyl)propyl]am…

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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) 3.01 7.8 -40.2 3 3 1 49 299.419 5 ↓
Hi High (pH 8-9.5) 3.01 6.37 -9.49 2 3 0 45 298.411 5 ↓

Analogs

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Popular Name: 3-[[[(1R)-1-(2-thienyl)propyl]amino]methyl]quinolin-2-ol 3-[[[(1R)-1-(2-thienyl)propyl]am…

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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) 3.01 7.8 -34.02 3 3 1 49 299.419 5 ↓
Hi High (pH 8-9.5) 3.01 6.41 -8.99 2 3 0 45 298.411 5 ↓

Parameters Provided:

ring.id = 69306
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 = 69306 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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