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Analogs

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Popular Name: N-(4,5-dimethyl-1-oxo-2H-furo[4,3-d]pyridazin-7-yl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3 N-(4,5-dimethyl-1-oxo-2H-furo[4,…

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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) 2.04 6.61 -23.19 2 10 0 128 440.485 6 ↓
Mid Mid (pH 6-8) 2.50 4.93 -63.21 1 10 -1 131 439.477 6 ↓
Mid Mid (pH 6-8) 2.22 3.77 -28.72 2 10 0 131 440.485 6 ↓

Analogs

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Popular Name: N-(4,5-dimethyl-1-oxo-2H-furo[4,3-d]pyridazin-7-yl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulf N-(4,5-dimethyl-1-oxo-2H-furo[4,…

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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) 1.17 5.55 -20.23 2 10 0 132 400.42 5 ↓
Mid Mid (pH 6-8) 1.63 3.9 -59.29 1 10 -1 135 399.412 5 ↓
Mid Mid (pH 6-8) 1.36 2.7 -26.32 2 10 0 135 400.42 5 ↓

Analogs

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Popular Name: N-(1,7-dimethyl-4-oxo-3H-furo[4,3-d]pyridazin-5-yl)-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-ac N-(1,7-dimethyl-4-oxo-3H-furo[4,…

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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) 1.99 3.17 -25.79 3 9 0 134 389.437 6 ↓
Hi High (pH 8-9.5) 2.90 0.23 -107.8 1 9 -2 140 387.421 6 ↓
Mid Mid (pH 6-8) 2.44 2.16 -54.03 2 9 -1 137 388.429 6 ↓

Analogs

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Popular Name: N-(4,5-dimethyl-1-oxo-2H-furo[4,3-d]pyridazin-7-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide N-(4,5-dimethyl-1-oxo-2H-furo[4,…

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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) 0.79 1.81 -17.28 2 8 0 114 337.386 4 ↓
Mid Mid (pH 6-8) 1.25 0.17 -55.83 1 8 -1 117 336.378 4 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)sulfanyl-N-(4,5-dimethyl-1-oxo-2H-furo[4,3-d]pyridazin-7-yl)acetamide 2-(2-chlorophenyl)sulfanyl-N-(4,…

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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) 2.54 5.93 -17.04 2 6 0 88 363.826 4 ↓
Mid Mid (pH 6-8) 3.00 4.29 -54.19 1 6 -1 91 362.818 4 ↓

Analogs

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Popular Name: N-(1,7-dimethyl-4-oxo-3H-furo[4,3-d]pyridazin-5-yl)-2-(3,4-dimethylphenyl)sulfanyl-acetamide N-(1,7-dimethyl-4-oxo-3H-furo[4,…

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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) 2.73 6.66 -15.63 2 6 0 88 357.435 4 ↓
Mid Mid (pH 6-8) 3.19 5.04 -53.46 1 6 -1 91 356.427 4 ↓

Analogs

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Popular Name: 2-(2,5-dichlorophenyl)sulfanyl-N-(4,5-dimethyl-1-oxo-2H-furo[4,3-d]pyridazin-7-yl)acetamide 2-(2,5-dichlorophenyl)sulfanyl-N…

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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) 3.19 6.45 -15.42 2 6 0 88 398.271 4 ↓
Mid Mid (pH 6-8) 3.65 4.81 -52.89 1 6 -1 91 397.263 4 ↓

Analogs

12925095
12925095

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Popular Name: N-(1,7-dimethyl-4-oxo-3H-furo[4,3-d]pyridazin-5-yl)-2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulf N-(1,7-dimethyl-4-oxo-3H-furo[4,…

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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) 2.14 7.47 -21.29 2 10 0 132 483.55 9 ↓
Mid Mid (pH 6-8) 2.60 6.68 -55.52 1 10 -1 135 482.542 9 ↓

Analogs

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Popular Name: N-(4,5-dimethyl-1-oxo-2H-furo[4,3-d]pyridazin-7-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulf N-(4,5-dimethyl-1-oxo-2H-furo[4,…

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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) 1.92 6.93 -19.1 2 8 0 106 445.551 5 ↓
Mid Mid (pH 6-8) 2.38 5.28 -54.26 1 8 -1 109 444.543 5 ↓

Analogs

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Popular Name: N-(4,5-dimethyl-1-oxo-2H-furo[4,3-d]pyridazin-7-yl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide N-(4,5-dimethyl-1-oxo-2H-furo[4,…

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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) 0.82 4.01 -24.53 2 9 0 112 427.436 4 ↓
Hi High (pH 8-9.5) 1.27 3.17 -61.93 1 9 -1 115 426.428 4 ↓
Mid Mid (pH 6-8) 1.27 5.4 -80.44 2 9 0 116 427.436 4 ↓

Analogs

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Popular Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(4,5-dimethyl-1-oxo-2H-furo[4,3-d]pyridazin-7-yl)acetamide 2-[4-(4-chlorobenzoyl)piperazin-…

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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) 1.38 4.48 -19.66 2 9 0 112 443.891 4 ↓
Hi High (pH 8-9.5) 1.84 3.66 -54.17 1 9 -1 115 442.883 4 ↓
Mid Mid (pH 6-8) 1.84 5.87 -74.83 2 9 0 116 443.891 4 ↓

Analogs

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Popular Name: N-(1,7-dimethyl-4-oxo-3H-furo[4,3-d]pyridazin-5-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl] N-(1,7-dimethyl-4-oxo-3H-furo[4,…

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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) 1.87 3.03 -20.22 2 10 0 129 473.555 5 ↓
Hi High (pH 8-9.5) 2.33 2.33 -57.47 1 10 -1 132 472.547 5 ↓
Mid Mid (pH 6-8) 2.33 4.54 -76.85 2 10 0 133 473.555 5 ↓

Analogs

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Popular Name: N-(4,5-dimethyl-1-oxo-2H-furo[4,3-d]pyridazin-7-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetamide N-(4,5-dimethyl-1-oxo-2H-furo[4,…

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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) 0.99 0.96 -21.51 2 10 0 129 451.53 5 ↓
Hi High (pH 8-9.5) 1.45 0.19 -58.43 1 10 -1 132 450.522 5 ↓
Mid Mid (pH 6-8) 1.45 2.4 -76.75 2 10 0 133 451.53 5 ↓

Analogs

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Popular Name: 2-[(2,4-dichlorophenyl)methyl-methyl-amino]-N-(4,5-dimethyl-1-oxo-2H-furo[4,3-d]pyridazin-7-yl)aceta 2-[(2,4-dichlorophenyl)methyl-me…

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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) 2.93 7.35 -51.18 3 7 1 92 410.281 5 ↓
Hi High (pH 8-9.5) 3.39 4.22 -53.1 1 7 -1 94 408.265 5 ↓
Mid Mid (pH 6-8) 3.39 6.55 -69.24 2 7 0 96 409.273 5 ↓

Parameters Provided:

ring.id = 10416
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 = 10416 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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