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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (6E)-6-[(3-allyl-4-hydroxy-5-methoxy-phenyl)methylene]-5-imino-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a] (6E)-6-[(3-allyl-4-hydroxy-5-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) 2.98 7.55 -13.87 2 7 0 101 432.505 5 ↓

Analogs

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Popular Name: (Z)-5-imino-6-(4-methylbenzylidene)-2-(o-tolyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-6-(4-methylbenzylide…

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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) 3.09 9.38 -11.01 1 5 0 71 360.442 2 ↓

Analogs

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Popular Name: (Z)-6-(2-hydroxy-5-nitrobenzylidene)-5-imino-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(2-hydroxy-5-nitrobenzylid…

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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) 2.12 6.57 -42.43 1 9 -1 140 392.376 3 ↓
Mid Mid (pH 6-8) 2.12 5.79 -18.52 2 9 0 137 393.384 3 ↓
Lo Low (pH 4.5-6) 2.12 5.74 -47.58 3 9 1 139 394.392 3 ↓

Analogs

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Popular Name: (6E)-6-[(4-dimethylaminophenyl)methylene]-5-imino-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-o (6E)-6-[(4-dimethylaminophenyl)m…

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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) 2.77 8.6 -12.42 1 6 0 74 389.484 3 ↓
Lo Low (pH 4.5-6) 2.77 8.57 -29.58 2 6 1 76 390.492 3 ↓

Analogs

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Popular Name: (6E)-6-[(5-chloro-2-ethoxy-phenyl)methylene]-5-imino-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin- (6E)-6-[(5-chloro-2-ethoxy-pheny…

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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) 3.70 9.02 -12.32 1 6 0 80 424.913 4 ↓
Lo Low (pH 4.5-6) 3.70 8.98 -28.81 2 6 1 82 425.921 4 ↓

Analogs

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Popular Name: (6E)-5-imino-6-[(4-isopropylphenyl)methylene]-2-(m-tolyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-5-imino-6-[(4-isopropylphen…

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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) 4.18 10.14 -10.81 1 5 0 71 388.496 3 ↓
Lo Low (pH 4.5-6) 4.18 10.1 -30.03 2 5 1 73 389.504 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-6-(3-allyl-4-hydroxy-5-methoxybenzylidene)-5-imino-2-(m-tolyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-allyl-4-hydroxy-5-metho…

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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) 2.98 7.72 -15.43 2 7 0 101 432.505 5 ↓
Lo Low (pH 4.5-6) 2.98 7.68 -44.01 3 7 1 102 433.513 5 ↓

Parameters Provided:

ring.id = 22867
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 = 22867 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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