UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13060112
13060112
9665780
9665780

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Popular Name: (4E)-4-[[4-(difluoromethoxy)-3,5-dimethoxy-phenyl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b]quinoli (4E)-4-[[4-(difluoromethoxy)-3,5…

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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) 4.42 11.05 -57.29 1 7 0 85 470.472 7 ↓

Analogs

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Popular Name: (4E)-4-[[2-(difluoromethoxy)-3-ethoxy-phenyl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b]quinoline-10 (4E)-4-[[2-(difluoromethoxy)-3-e…

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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) 4.81 11.96 -56.42 1 6 0 76 454.473 7 ↓

Analogs

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Popular Name: (4E)-2-methyl-4-[[4-(trifluoromethylsulfanyl)phenyl]methylene]-1,3-dihydropyrido[4,5-b]quinoline-10- (4E)-2-methyl-4-[[4-(trifluorome…

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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) 7.84 12.26 -54.93 1 4 0 57 430.451 4 ↓

Analogs

12565566
12565566

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Popular Name: (4E)-2-methyl-4-[[4-(trifluoromethoxy)phenyl]methylene]-1,3-dihydropyrido[4,5-b]quinoline-10-carboxy (4E)-2-methyl-4-[[4-(trifluorome…

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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) 4.83 10.57 -55.36 1 5 0 67 414.383 4 ↓

Analogs

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Popular Name: (4Z)-2-ethyl-4-[(4-isopropyl-3-nitro-phenyl)methylene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carb (4Z)-2-ethyl-4-[(4-isopropyl-3-n…

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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) 5.16 15.8 -65.01 1 7 0 103 431.492 5 ↓
Hi High (pH 8-9.5) 5.16 13.51 -54.67 0 7 -1 102 430.484 5 ↓

Parameters Provided:

ring.id = 123661
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 = 123661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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