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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: 7-(1,3-benzodioxol-5-yl)-4-benzylsulfanyl-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-benzy…

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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) 4.55 8.97 -13.07 0 5 0 57 393.493 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-[(3-f…

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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) 4.69 9.04 -13.42 0 5 0 57 411.483 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-[(4-f…

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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) 4.72 9.04 -12.87 0 5 0 57 411.483 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-(o-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-2-methy…

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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) 4.95 9.51 -13.08 0 5 0 57 407.52 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-[(4-c…

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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 9.49 -12.42 0 5 0 57 427.938 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-[(4-nitrophenyl)methylsulfanyl]thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-2-methy…

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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) 4.51 9.69 -15.48 0 8 0 103 438.49 5 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyrida 7-(1,3-benzodioxol-5-yl)-4-[(2-c…

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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) 5.30 9.43 -15.36 0 5 0 57 445.928 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-(m-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-2-methy…

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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) 4.98 9.64 -13.16 0 5 0 57 407.52 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-[(2-c…

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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) 5.18 9.4 -14.04 0 5 0 57 427.938 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-4-[(2,5-dimethylphenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-[(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) 5.38 10.18 -13.1 0 5 0 57 421.547 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-(p-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-2-methy…

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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) 5.00 9.65 -13.08 0 5 0 57 407.52 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-4-[(2-fluorophenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-[(2-f…

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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) 4.67 9 -14.86 0 5 0 57 411.483 4 ↓

Analogs

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Popular Name: 7-(1,3-benzodioxol-5-yl)-4-[(3-chlorophenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-[(3-c…

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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) 5.21 9.48 -12.83 0 5 0 57 427.938 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-[(3-nitrophenyl)methylsulfanyl]thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-2-methy…

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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) 4.49 9.69 -16.81 0 8 0 103 438.49 5 ↓

Parameters Provided:

ring.id = 229152
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 = 229152 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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