UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9560136
9560136

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Popular Name: 2-[(8-methyl-5-oxo-4-phenyl-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]-N-(5-methyl- 2-[(8-methyl-5-oxo-4-phenyl-7-th…

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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) 2.18 -1.84 -27.72 1 7 0 89 431.568 5 ↓

Analogs

9560135
9560135

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Popular Name: 2-[(8-methyl-5-oxo-4-phenyl-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]-N-(5-methyl- 2-[(8-methyl-5-oxo-4-phenyl-7-th…

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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) 2.18 -1.84 -27.69 1 7 0 89 431.568 5 ↓

Analogs

9560148
9560148

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Popular Name: 2-[[8-methyl-2-oxo-3-(p-tolyl)-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl]sulfanyl]-N-(5-meth 2-[[8-methyl-2-oxo-3-(p-tolyl)-9…

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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) 2.63 -1.52 -27.46 1 7 0 89 445.595 5 ↓

Analogs

9560147
9560147

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Popular Name: 2-[[8-methyl-2-oxo-3-(p-tolyl)-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl]sulfanyl]-N-(5-meth 2-[[8-methyl-2-oxo-3-(p-tolyl)-9…

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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) 2.63 -1.52 -27.47 1 7 0 89 445.595 5 ↓

Analogs

9560150
9560150

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[8-methyl-5-oxo-4-(p-tolyl)-7-thia-2,4-diazabicyclo[4.3.0]nona- N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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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) 3.20 -1.46 -26.93 1 7 0 89 459.622 6 ↓

Analogs

9560149
9560149

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[8-methyl-5-oxo-4-(p-tolyl)-7-thia-2,4-diazabicyclo[4.3.0]nona- N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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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) 3.20 -1.46 -26.97 1 7 0 89 459.622 6 ↓

Analogs

9560152
9560152

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Popular Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[8-methyl-5-oxo-4-(p-tolyl)-7-thia-2,4-diazabicyclo[4.3 N-(5-ethylsulfanyl-1,3,4-thiadia…

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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) 4.01 -1.99 -25.46 1 7 0 89 491.689 7 ↓

Analogs

9560151
9560151

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Popular Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[8-methyl-5-oxo-4-(p-tolyl)-7-thia-2,4-diazabicyclo[4.3 N-(5-ethylsulfanyl-1,3,4-thiadia…

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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) 4.01 -1.99 -25.51 1 7 0 89 491.689 7 ↓

Analogs

9560182
9560182

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3. N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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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) 2.91 -1.04 -25.97 1 7 0 89 463.585 6 ↓

Analogs

9560181
9560181

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3. N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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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) 2.91 -1.05 -25.96 1 7 0 89 463.585 6 ↓

Analogs

9560184
9560184

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Popular Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicy N-(5-ethylsulfanyl-1,3,4-thiadia…

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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) 3.72 -1.57 -24.42 1 7 0 89 495.652 7 ↓

Analogs

9560183
9560183

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Popular Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[4-(4-fluorophenyl)-8-methyl-5-oxo-7-thia-2,4-diazabicy N-(5-ethylsulfanyl-1,3,4-thiadia…

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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) 3.72 -1.57 -24.42 1 7 0 89 495.652 7 ↓

Parameters Provided:

ring.id = 7439
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 = 7439 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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