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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: 2-isobutyl-4-(4-methylsulfonylpiperazine-1-carbonyl)phthalazin-1-one 2-isobutyl-4-(4-methylsulfonylpi…

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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) 1.31 5.33 -15.28 0 8 0 93 392.481 4 ↓

Analogs

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Popular Name: 2-isopropyl-4-(4-methylsulfonylpiperazine-1-carbonyl)phthalazin-1-one 2-isopropyl-4-(4-methylsulfonylp…

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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) 0.93 4.4 -15.3 0 8 0 93 378.454 3 ↓

Analogs

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Popular Name: N-allyl-2-[4-(3-ethyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-yl]acetamide N-allyl-2-[4-(3-ethyl-4-oxo-phth…

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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) 1.45 4.75 -14.07 1 8 0 88 383.452 6 ↓

Analogs

55378916
55378916
55378956
55378956
3376281
3376281

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Popular Name: 4-(piperazine-1-carbonyl)-2H-phthalazin-1-one 4-(piperazine-1-carbonyl)-2H-pht…

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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) 0.16 2.4 -50.53 3 6 1 83 259.289 1 ↓
Hi High (pH 8-9.5) 0.61 -0.68 -44.64 1 6 -1 81 257.273 1 ↓
Mid Mid (pH 6-8) 0.16 0.86 -9.03 2 6 0 78 258.281 1 ↓

Analogs

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Popular Name: 4-(4-ethylpiperazine-1-carbonyl)-2-isopropyl-phthalazin-1-one 4-(4-ethylpiperazine-1-carbonyl)…

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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) 1.93 6.09 -9.12 0 6 0 58 328.416 3 ↓

Analogs

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Popular Name: 2-methyl-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phthalazin-1-one 2-methyl-4-[4-(2-methylpropanoyl…

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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) 1.26 6.52 -14.26 0 7 0 76 342.399 2 ↓

Analogs

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Popular Name: 4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]-2-methyl-phthalazin-1-one 4-[4-[(2S)-2-hydroxybutyl]pipera…

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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) 1.05 3.06 -10.02 1 7 0 79 344.415 4 ↓
Lo Low (pH 4.5-6) 1.05 5.23 -47.93 2 7 1 80 345.423 4 ↓

Analogs

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Popular Name: 4-[4-[(2R)-2-hydroxybutyl]piperazine-1-carbonyl]-2-methyl-phthalazin-1-one 4-[4-[(2R)-2-hydroxybutyl]pipera…

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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) 1.05 3.1 -9.66 1 7 0 79 344.415 4 ↓
Lo Low (pH 4.5-6) 1.05 5.28 -47.39 2 7 1 80 345.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]-2H-phthalazin-1-one 4-[4-[(2S)-2-hydroxybutyl]pipera…

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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) 0.98 1.3 -9.78 2 7 0 90 330.388 4 ↓
Hi High (pH 8-9.5) 1.44 -0.5 -48.39 1 7 -1 93 329.38 4 ↓
Lo Low (pH 4.5-6) 0.98 3.65 -46.22 3 7 1 91 331.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(2R)-2-hydroxybutyl]piperazine-1-carbonyl]-2H-phthalazin-1-one 4-[4-[(2R)-2-hydroxybutyl]pipera…

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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) 0.98 1.41 -9.13 2 7 0 90 330.388 4 ↓
Hi High (pH 8-9.5) 1.44 -0.37 -45.15 1 7 -1 93 329.38 4 ↓
Lo Low (pH 4.5-6) 0.98 3.67 -46.59 3 7 1 91 331.396 4 ↓

Analogs

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Popular Name: 2-ethyl-4-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]phthalazin-1-one 2-ethyl-4-[4-[(2R)-2-hydroxyprop…

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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) 0.92 2.86 -10.77 1 7 0 79 344.415 4 ↓
Lo Low (pH 4.5-6) 0.92 5.35 -44.8 2 7 1 80 345.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-4-[4-[(2S)-2-hydroxypropyl]piperazine-1-carbonyl]phthalazin-1-one 2-ethyl-4-[4-[(2S)-2-hydroxyprop…

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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) 0.92 2.89 -10.84 1 7 0 79 344.415 4 ↓
Lo Low (pH 4.5-6) 0.92 5.34 -44.7 2 7 1 80 345.423 4 ↓

Parameters Provided:

ring.id = 28462
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 = 28462 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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