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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40169845
40169845
40169847
40169847
40169871
40169871
40169873
40169873
40169879
40169879

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxy 2-[[2-[(5-methyl-[1,2,4]triazolo…

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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 1.34 -18.99 1 7 0 85 502.621 8 ↓

Analogs

40169845
40169845
40169847
40169847
40169871
40169871
40169873
40169873
40169879
40169879

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 4-(4-fluorophenyl)-2-({[(6-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate ethyl 4-(4-fluorophenyl)-2-({[(6…

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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) 6.03 2.19 -18.41 1 7 0 85 520.611 8 ↓

Analogs

40170152
40170152
40170153
40170153

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 4-(2-chlorophenyl)-2-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate ethyl 4-(2-chlorophenyl)-2-({[(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) 6.47 1.5 -19.39 1 7 0 85 537.066 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 5-chloro-2-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)-4-phenyl-3-thiophenecarboxylate methyl 5-chloro-2-({[(5-methyl[1…

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Activity (Go SEA)

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) 6.26 1.14 -17.7 1 7 0 85 523.039 7 ↓

Parameters Provided:

ring.id = 229831
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 = 229831 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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