UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(4-allyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-ca 3-[(4-allyl-5-oxo-[1,2,4]triazol…

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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) 4.86 14.82 -61.06 0 7 -1 92 465.511 6 ↓

Analogs

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Popular Name: 4-fluoro-3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]benzothiophene-2-ca 4-fluoro-3-[(4-methyl-5-oxo-[1,2…

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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) 4.22 13.32 -60.55 0 7 -1 92 439.473 4 ↓

Analogs

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Popular Name: 3-[(4-butyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-ca 3-[(4-butyl-5-oxo-[1,2,4]triazol…

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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) 5.66 15.8 -60.7 0 7 -1 92 481.554 7 ↓

Analogs

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Popular Name: 4-fluoro-3-[(4-isopentyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]benzothiophene-2 4-fluoro-3-[(4-isopentyl-5-oxo-[…

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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 16.31 -60.59 0 7 -1 92 495.581 7 ↓

Analogs

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Popular Name: 4-fluoro-3-[[4-(3-methoxypropyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanylmethyl]benzothi 4-fluoro-3-[[4-(3-methoxypropyl)…

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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) 4.47 14.09 -62.84 0 8 -1 102 497.553 8 ↓

Analogs

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Popular Name: 4-fluoro-3-[(5-oxo-4-pentyl-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]benzothiophene-2-ca 4-fluoro-3-[(5-oxo-4-pentyl-[1,2…

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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) 6.16 16.58 -60.7 0 7 -1 92 495.581 8 ↓

Parameters Provided:

ring.id = 116969
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 = 116969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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