UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[4-(2,4-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanyl]-N-(o-tolylmethyl)ac 2-[[4-(2,4-dimethylphenyl)-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) 5.02 16.5 -16.41 1 7 0 81 483.597 6 ↓

Analogs

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Popular Name: 2-[[4-(2,4-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanyl]-N-[(2-fluorophenyl) 2-[[4-(2,4-dimethylphenyl)-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) 4.73 15.73 -17.77 1 7 0 81 487.56 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2,5-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanyl]-N-(o-tolylmethyl)ac 2-[[4-(2,5-dimethylphenyl)-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) 5.23 16.79 -16.62 1 7 0 81 483.597 6 ↓

Analogs

3363663
3363663

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Popular Name: N-benzyl-2-[(5-keto-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetamide N-benzyl-2-[(5-keto-4-phenyl-[1,…

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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) 3.58 0.58 -16.62 1 7 0 81 441.516 6 ↓

Analogs

21627112
21627112
21627118
21627118
9558702
9558702
9558703
9558703
9558710
9558710

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Popular Name: (2R)-2-[[4-(2,5-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanyl]-N-(p-tolylmeth (2R)-2-[[4-(2,5-dimethylphenyl)-…

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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) 5.64 17.34 -16.18 1 7 0 81 497.624 6 ↓

Analogs

21627112
21627112
21627118
21627118
9558702
9558702
9558703
9558703
9558710
9558710

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-(2,5-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanyl]-N-(p-tolylmeth (2S)-2-[[4-(2,5-dimethylphenyl)-…

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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) 5.64 17.35 -16.12 1 7 0 81 497.624 6 ↓

Analogs

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Popular Name: (2S)-N-benzyl-2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]butana (2S)-N-benzyl-2-[[4-(2,6-dimethy…

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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) 5.67 17.29 -19.98 1 7 0 81 497.624 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-benzyl-2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]butana (2R)-N-benzyl-2-[[4-(2,6-dimethy…

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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) 5.67 17.3 -19.88 1 7 0 81 497.624 7 ↓

Parameters Provided:

ring.id = 44128
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 = 44128 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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