UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-[[4-(4-bromophenyl)-1-oxo-phthalazin-2-yl]methyl]pentanedinitrile (2R)-2-[[4-(4-bromophenyl)-1-oxo…

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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) 3.61 10.74 -20.71 0 5 0 82 407.271 5 ↓

Analogs

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Popular Name: (2S)-2-[[4-(4-bromophenyl)-1-oxo-phthalazin-2-yl]methyl]pentanedinitrile (2S)-2-[[4-(4-bromophenyl)-1-oxo…

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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) 3.61 10.96 -16.15 0 5 0 82 407.271 5 ↓

Analogs

12810764
12810764
12810766
12810766

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Popular Name: (2R)-2-[(1-oxo-4-phenyl-phthalazin-2-yl)methyl]pentanedinitrile (2R)-2-[(1-oxo-4-phenyl-phthalaz…

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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) 2.81 10.1 -20.79 0 5 0 82 328.375 5 ↓

Analogs

12810764
12810764
12810766
12810766

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Popular Name: (2S)-2-[(1-oxo-4-phenyl-phthalazin-2-yl)methyl]pentanedinitrile (2S)-2-[(1-oxo-4-phenyl-phthalaz…

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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) 2.81 10.35 -16.78 0 5 0 82 328.375 5 ↓

Analogs

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Popular Name: 3-[4-(4-bromophenyl)-1-oxo-phthalazin-2-yl]propanenitrile 3-[4-(4-bromophenyl)-1-oxo-phtha…

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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 9.18 -11.29 0 4 0 59 354.207 3 ↓

Analogs

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Popular Name: 2-[4-(4-keto-3-methyl-phthalazin-1-yl)phenoxy]acetamide 2-[4-(4-keto-3-methyl-phthalazin…

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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) 1.71 4.56 -19.21 2 6 0 87 309.325 4 ↓

Analogs

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Popular Name: 3-[4-(4-chlorophenyl)-1-keto-phthalazin-2-yl]propionic-acid-methyl-ester 3-[4-(4-chlorophenyl)-1-keto-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) 3.42 9.33 -11.72 0 5 0 61 342.782 5 ↓

Analogs

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Popular Name: 4-(3-methyl-4-oxo-phthalazin-1-yl)benzoic 4-(3-methyl-4-oxo-phthalazin-1-y…

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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 7.7 -49.27 0 5 -1 75 279.275 2 ↓

Analogs

8578973
8578973
8584526
8584526
9007751
9007751
18276907
18276907
33420471
33420471

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Popular Name: 4-(3-aminophenyl)-2H-phthalazin-1-one 4-(3-aminophenyl)-2H-phthalazin-…

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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) 1.91 -3.37 -10.46 3 4 0 71 237.262 1 ↓

Analogs

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Popular Name: 2-[4-(4-keto-3-methyl-phthalazin-1-yl)phenoxy]acetic-acid-methyl-ester 2-[4-(4-keto-3-methyl-phthalazin…

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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) 2.84 8.07 -16.04 0 6 0 70 324.336 5 ↓

Analogs

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Popular Name: 4-(4-keto-3-methyl-phthalazin-1-yl)benzoic-acid-methyl-ester 4-(4-keto-3-methyl-phthalazin-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) 3.09 7.8 -13.51 0 5 0 61 294.31 3 ↓

Analogs

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Popular Name: N-isopropyl-4-(4-keto-3-methyl-phthalazin-1-yl)benzamide N-isopropyl-4-(4-keto-3-methyl-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) 2.79 -0.05 -16.92 1 5 0 63 321.38 3 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-2-[methyl-[(1-oxo-4-phenyl-phthalazin-2-yl)methyl]amino]acetamide N-(3-methoxypropyl)-2-[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) 2.80 8.24 -39.13 2 7 1 78 395.483 9 ↓
Mid Mid (pH 6-8) 2.80 5.83 -18 1 7 0 76 394.475 9 ↓

Analogs

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Popular Name: 2-[[methyl(propyl)amino]methyl]-4-(p-tolyl)phthalazin-1-one 2-[[methyl(propyl)amino]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) 4.27 11.27 -31.66 1 4 1 39 322.432 5 ↓
Hi High (pH 8-9.5) 4.27 8.79 -10.18 0 4 0 38 321.424 5 ↓

Analogs

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Popular Name: 4-(3,4-difluorophenyl)-2-(2-methylsulfonylethyl)phthalazin-1-one 4-(3,4-difluorophenyl)-2-(2-meth…

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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) 2.58 5.71 -18.48 0 5 0 69 364.373 4 ↓

Analogs

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Popular Name: 4-(5-bromo-2-ethoxy-phenyl)-2H-phthalazin-1-one 4-(5-bromo-2-ethoxy-phenyl)-2H-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) 4.02 6.58 -10.57 1 4 0 55 345.196 3 ↓
Hi High (pH 8-9.5) 4.48 4.85 -56.19 0 4 -1 58 344.188 3 ↓

Analogs

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Popular Name: 4-(4-methoxy-3-methyl-phenyl)-2H-phthalazin-1-one 4-(4-methoxy-3-methyl-phenyl)-2H…

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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) 3.29 5.61 -10.29 1 4 0 55 266.3 2 ↓

Parameters Provided:

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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 = 146674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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