UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6E)-6-[(3-benzyloxyphenyl)methylene]-2,3-dimethoxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12-o (6E)-6-[(3-benzyloxyphenyl)methy…

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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) 5.38 13.22 -13.92 0 6 0 63 468.553 6 ↓

Analogs

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Popular Name: 4-[(E)-(2,3-dimethoxy-12-oxo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-6-ylidene)methyl]benzonitri 4-[(E)-(2,3-dimethoxy-12-oxo-7,8…

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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) 3.50 10.33 -15.33 0 6 0 77 387.439 3 ↓

Analogs

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Popular Name: (E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylene-methyl-oxo-BLAHcarboxylic (E)-[4-[(2-fluorophenyl)methoxy]…

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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) 5.84 13.55 -57.3 0 6 -1 84 489.548 5 ↓

Analogs

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Popular Name: (E)-methyl-oxo-[[2-(trifluoromethoxy)phenyl]methylene]BLAHcarboxylic (E)-methyl-oxo-[[2-(trifluoromet…

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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) 4.82 9.95 -58.2 0 6 -1 84 449.43 4 ↓

Analogs

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Popular Name: (E)-methyl-oxo-[[4-(trifluoromethylsulfanyl)phenyl]methylene]BLAHcarboxylic (E)-methyl-oxo-[[4-(trifluoromet…

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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) 8.06 11.87 -56.9 0 5 -1 75 465.498 4 ↓

Analogs

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Popular Name: (E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylene-methyl-oxo-BLAHcarboxylic (E)-[4-[(3-fluorophenyl)methoxy]…

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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) 5.87 13.45 -57.73 0 6 -1 84 489.548 5 ↓

Analogs

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Popular Name: (E)-methyl-oxo-[[4-(trifluoromethoxy)phenyl]methylene]BLAHcarboxylic (E)-methyl-oxo-[[4-(trifluoromet…

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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) 5.05 9.91 -54.99 0 6 -1 84 449.43 4 ↓

Parameters Provided:

ring.id = 105268
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 = 105268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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