UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36213836
36213836

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Popular Name: 1-[(1S)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-(p-tolyl)-[1,2,4]triazolo[4,3-a]quinazoli 1-[(1S)-2-(4-chlorophenyl)-1-met…

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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) 5.71 17.67 -14.52 0 6 0 69 474.973 5 ↓

Analogs

36213834
36213834

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Popular Name: 1-[(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-(p-tolyl)-[1,2,4]triazolo[4,3-a]quinazoli 1-[(1R)-2-(4-chlorophenyl)-1-met…

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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) 5.71 17.67 -14.52 0 6 0 69 474.973 5 ↓

Analogs

16621211
16621211

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Popular Name: 4-(2,4-dimethylphenyl)-1-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazol 4-(2,4-dimethylphenyl)-1-[2-(3,4…

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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) 6.08 18.66 -15.92 0 6 0 69 468.582 5 ↓

Analogs

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Popular Name: 1-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-(p-tolyl)-[1,2,4]triazolo[4,5-a]quinazolin-5-one 1-[2-(2,5-dimethoxyphenyl)-2-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) 4.71 16.37 -18.73 0 8 0 88 486.553 7 ↓

Analogs

23602139
23602139
23602142
23602142

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Popular Name: 4-(2,4-dimethylphenyl)-1-[(1S)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[4,3- 4-(2,4-dimethylphenyl)-1-[(1S)-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) 5.79 18.15 -15.04 0 6 0 69 472.545 5 ↓

Analogs

23602139
23602139
23602142
23602142

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-dimethylphenyl)-1-[(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[4,3- 4-(2,4-dimethylphenyl)-1-[(1R)-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) 5.79 18.16 -15.05 0 6 0 69 472.545 5 ↓

Parameters Provided:

ring.id = 85353
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 = 85353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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