UCSF
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Analogs

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Popular Name: 6-(4-methoxyphenyl)-2-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4,5-dihydropyridazin-3-one 6-(4-methoxyphenyl)-2-(4-phenyl-…

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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) 3.16 11.98 -65.76 0 7 -1 73 378.437 4 ↓
Lo Low (pH 4.5-6) 2.43 12.51 -19.39 1 7 0 76 379.445 4 ↓

Analogs

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Popular Name: 2-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one 2-[4-(4-chlorophenyl)-5-thioxo-1…

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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) 3.83 12.5 -59.36 0 7 -1 73 412.882 4 ↓
Lo Low (pH 4.5-6) 3.11 13.13 -16.8 1 7 0 76 413.89 4 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)-2-[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-4,5-dihydropyridazin-3-one 6-(4-methoxyphenyl)-2-[4-(p-toly…

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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) 3.60 12.66 -65.73 0 7 -1 73 392.464 4 ↓
Lo Low (pH 4.5-6) 2.88 13.22 -18.9 1 7 0 76 393.472 4 ↓

Analogs

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Popular Name: 6-(4-ethylphenyl)-2-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4,5-dihydropyridazin-3-one 6-(4-ethylphenyl)-2-(4-phenyl-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) 4.01 14.11 -65.48 0 6 -1 63 376.465 4 ↓
Lo Low (pH 4.5-6) 3.29 14.65 -17.81 1 6 0 66 377.473 4 ↓

Analogs

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Popular Name: 2-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-6-(4-ethylphenyl)-4,5-dihydropyridazin-3-one 2-[4-(4-chlorophenyl)-5-thioxo-1…

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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 14.63 -59.05 0 6 -1 63 410.91 4 ↓
Lo Low (pH 4.5-6) 3.96 15.22 -15.53 1 6 0 66 411.918 4 ↓

Analogs

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Popular Name: 2-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-6-(p-tolyl)-4,5-dihydropyridazin-3-one 2-[4-(4-chlorophenyl)-5-thioxo-1…

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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) 4.23 13.87 -59.23 0 6 -1 63 396.883 3 ↓
Lo Low (pH 4.5-6) 3.50 14.46 -15.63 1 6 0 66 397.891 3 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)-2-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4,5-dihydropyridazin-3-one 6-(4-chlorophenyl)-2-(4-phenyl-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) 3.78 13.2 -64.62 0 6 -1 63 382.856 3 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-4,5-dihydropyridazin-3-one 6-(4-chlorophenyl)-2-[4-(4-chlor…

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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) 4.46 13.71 -58.43 0 6 -1 63 417.301 3 ↓
Lo Low (pH 4.5-6) 3.73 14.3 -16.71 1 6 0 66 418.309 3 ↓

Analogs

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Popular Name: 6-phenyl-2-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4,5-dihydropyridazin-3-one 6-phenyl-2-(4-phenyl-5-thioxo-1H…

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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) 3.10 12.67 -65.86 0 6 -1 63 348.411 3 ↓
Lo Low (pH 4.5-6) 2.37 13.2 -18.25 1 6 0 66 349.419 3 ↓

Analogs

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Popular Name: 6-(4-ethylphenyl)-2-[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-4,5-dihydropyridazin-3-one 6-(4-ethylphenyl)-2-[4-(p-tolyl)…

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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) 4.46 14.79 -65.51 0 6 -1 63 390.492 4 ↓
Lo Low (pH 4.5-6) 3.74 15.35 -17.38 1 6 0 66 391.5 4 ↓

Analogs

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Popular Name: 6-(4-isobutylphenyl)-2-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4,5-dihydropyridazin-3-one 6-(4-isobutylphenyl)-2-(4-phenyl…

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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) 4.40 15.36 -65.41 0 6 -1 63 404.519 5 ↓
Lo Low (pH 4.5-6) 3.67 15.89 -17.63 1 6 0 66 405.527 5 ↓

Parameters Provided:

ring.id = 465979
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 = 465979 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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