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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6388792
6388792
6396351
6396351
6431969
6431969

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide N-(5-fluoro-2-methyl-phenyl)-3-i…

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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) 4.04 1.93 -10.49 1 5 0 63 353.397 4 ↓

Analogs

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Popular Name: 3-methyl-N-(4-methyl-3-sulfamoyl-phenyl)-4-oxo-phthalazine-1-carboxamide 3-methyl-N-(4-methyl-3-sulfamoyl…

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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 -5.7 -19.18 3 8 0 124 372.406 3 ↓

Analogs

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Popular Name: N-(2,4-dichlorophenyl)-3-methyl-4-oxo-phthalazine-1-carboxamide N-(2,4-dichlorophenyl)-3-methyl-…

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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) 3.66 7.11 -7.32 1 5 0 64 348.189 2 ↓

Analogs

36726693
36726693

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Popular Name: N-(2-fluoro-4-methyl-phenyl)-3-methyl-4-oxo-phthalazine-1-carboxamide N-(2-fluoro-4-methyl-phenyl)-3-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) 2.92 6.74 -8.47 1 5 0 64 311.316 2 ↓

Analogs

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Popular Name: N-[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide N-[4-[(2-amino-2-oxo-ethyl)carba…

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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) 1.18 2.92 -15.54 4 9 0 136 407.43 7 ↓

Analogs

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Popular Name: N-methyl-4-oxo-3-pentyl-N-phenyl-phthalazine-1-carboxamide N-methyl-4-oxo-3-pentyl-N-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) 4.57 10.8 -9.41 0 5 0 55 349.434 6 ↓

Analogs

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Popular Name: 3-isopropyl-N-methyl-4-oxo-N-phenyl-phthalazine-1-carboxamide 3-isopropyl-N-methyl-4-oxo-N-phe…

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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) 3.36 9.08 -9.69 0 5 0 55 321.38 3 ↓

Analogs

6339255
6339255

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Popular Name: 3-isobutyl-N-[2-(methylcarbamoyl)phenyl]-4-oxo-phthalazine-1-carboxamide 3-isobutyl-N-[2-(methylcarbamoyl…

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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) 2.65 7.14 -13.23 2 7 0 93 378.432 5 ↓

Analogs

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Popular Name: N-(4-methoxy-2-nitro-phenyl)-3-methyl-4-oxo-phthalazine-1-carboxamide N-(4-methoxy-2-nitro-phenyl)-3-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) 2.32 6.32 -11.16 1 9 0 119 354.322 4 ↓

Analogs

2618070
2618070
8280138
8280138

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Popular Name: N-(4-ethylphenyl)-4-hydroxy-phthalazine-1-carboxamide N-(4-ethylphenyl)-4-hydroxy-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) 3.23 5.79 -8.26 2 5 0 75 293.326 3 ↓
Hi High (pH 8-9.5) 3.68 4.01 -45.2 1 5 -1 78 292.318 3 ↓

Analogs

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Popular Name: N-butyl-3-isopropyl-4-oxo-N-phenyl-phthalazine-1-carboxamide N-butyl-3-isopropyl-4-oxo-N-phen…

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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) 4.80 11.01 -10.33 0 5 0 55 363.461 6 ↓

Analogs

7668882
7668882

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Popular Name: N-(2-isopropyl-6-methyl-phenyl)-4-keto-3-methyl-phthalazine-1-carboxamide N-(2-isopropyl-6-methyl-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) 2.83 1.31 -8.71 1 5 0 63 335.407 3 ↓

Analogs

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Popular Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide N-[3-(diethylsulfamoyl)-4-ethoxy…

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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) 3.68 8.21 -19.5 1 9 0 111 486.594 10 ↓

Analogs

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Popular Name: 3-isopropyl-4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide 3-isopropyl-4-oxo-N-[2-propoxy-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) 4.88 9.75 -9.83 1 6 0 73 433.43 7 ↓

Analogs

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Popular Name: 4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-propyl-phthalazine-1-carboxamide 4-oxo-N-[2-propoxy-5-(trifluorom…

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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) 5.02 9.76 -9.55 1 6 0 73 433.43 8 ↓

Analogs

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Popular Name: 3-ethyl-N-(3-iodophenyl)-4-oxo-phthalazine-1-carboxamide 3-ethyl-N-(3-iodophenyl)-4-oxo-p…

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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) 3.81 7.95 -9.8 1 5 0 64 419.222 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.80 9.39 -10.4 1 7 0 90 379.416 6 ↓

Analogs

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Popular Name: N-[5-chloro-2-(dimethylamino)phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide N-[5-chloro-2-(dimethylamino)phe…

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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 7.69 -8.74 1 6 0 67 356.813 3 ↓

Analogs

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Popular Name: N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-3H-phthalazine-1-carboxamide N-[5-chloro-2-(dimethylamino)phe…

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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) 3.02 6.02 -7.97 2 6 0 78 342.786 3 ↓
Hi High (pH 8-9.5) 3.48 4.3 -44.29 1 6 -1 81 341.778 3 ↓

Analogs

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Popular Name: N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-4-oxo-3H-phthalazine-1-carboxamide N-[3-chloro-2-(2-ethoxyethoxy)ph…

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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) 3.22 5.62 -9.63 2 7 0 93 387.823 7 ↓
Hi High (pH 8-9.5) 3.67 3.82 -45.39 1 7 -1 96 386.815 7 ↓

Analogs

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Popular Name: N-ethyl-3-isopropyl-4-oxo-N-phenyl-phthalazine-1-carboxamide N-ethyl-3-isopropyl-4-oxo-N-phen…

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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) 3.74 9.91 -9.7 0 5 0 55 335.407 4 ↓

Analogs

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Popular Name: N-[3-(3-cyanopropoxy)phenyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide N-[3-(3-cyanopropoxy)phenyl]-3-i…

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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) 3.26 9.98 -18.12 1 7 0 97 404.47 8 ↓

Analogs

55616505
55616505

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Popular Name: N-(2-ethoxy-4-methyl-phenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide N-(2-ethoxy-4-methyl-phenyl)-3-i…

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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) 4.31 9.46 -9.05 1 6 0 73 379.46 6 ↓

Analogs

55639243
55639243

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Popular Name: 3-isopropyl-N-[4-[(1S)-1-methylpropoxy]phenyl]-4-oxo-phthalazine-1-carboxamide 3-isopropyl-N-[4-[(1S)-1-methylp…

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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) 4.42 9.32 -9.46 1 6 0 73 379.46 6 ↓

Analogs

55616505
55616505
15998145
15998145

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Popular Name: 3-isopropyl-N-[2-(3-methoxypropoxy)phenyl]-4-oxo-phthalazine-1-carboxamide 3-isopropyl-N-[2-(3-methoxypropo…

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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) 3.38 7.84 -10.75 1 7 0 82 395.459 8 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide N-(2-bromophenyl)-3-isobutyl-4-o…

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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) 4.26 8.89 -7.54 1 5 0 64 400.276 4 ↓

Analogs

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Popular Name: N-(2-acetylphenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide N-(2-acetylphenyl)-3-isobutyl-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) 3.35 9.27 -12.03 1 6 0 81 363.417 5 ↓

Parameters Provided:

ring.id = 4835
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 = 4835 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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