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Analogs

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Popular Name: 2-[2-(4-fluoroanilino)ethyl]phthalazin-1-one 2-[2-(4-fluoroanilino)ethyl]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) 2.90 6.75 -13.09 1 4 0 47 283.306 4 ↓

Analogs

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Popular Name: 2-[2-(2-bromoanilino)ethyl]phthalazin-1-one 2-[2-(2-bromoanilino)ethyl]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) 3.49 7.4 -12.45 1 4 0 47 344.212 4 ↓

Analogs

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Popular Name: 2-[2-(2-chloroanilino)ethyl]phthalazin-1-one 2-[2-(2-chloroanilino)ethyl]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) 3.36 7.28 -12.44 1 4 0 47 299.761 4 ↓

Analogs

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Popular Name: 2-[2-(3-methylanilino)ethyl]phthalazin-1-one 2-[2-(3-methylanilino)ethyl]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) 3.16 7.35 -13.17 1 4 0 47 279.343 4 ↓

Analogs

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Popular Name: 2-[2-(4-methylanilino)ethyl]phthalazin-1-one 2-[2-(4-methylanilino)ethyl]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) 3.18 7.36 -13.1 1 4 0 47 279.343 4 ↓

Analogs

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Popular Name: 2-[2-(4-chloroanilino)ethyl]phthalazin-1-one 2-[2-(4-chloroanilino)ethyl]phth…

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Activity (Go SEA)

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) 3.41 7.21 -12.5 1 4 0 47 299.761 4 ↓

Analogs

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Popular Name: 2-[2-(2-fluoroanilino)ethyl]phthalazin-1-one 2-[2-(2-fluoroanilino)ethyl]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) 2.85 6.78 -13.19 1 4 0 47 283.306 4 ↓

Analogs

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Popular Name: 2-[2-(3-chloroanilino)ethyl]phthalazin-1-one 2-[2-(3-chloroanilino)ethyl]phth…

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Activity (Go SEA)

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) 3.39 7.2 -12.31 1 4 0 47 299.761 4 ↓

Analogs

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Popular Name: 2-[2-(3-fluoroanilino)ethyl]phthalazin-1-one 2-[2-(3-fluoroanilino)ethyl]phth…

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Activity (Go SEA)

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) 2.87 6.75 -12.79 1 4 0 47 283.306 4 ↓

Analogs

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Popular Name: 2-[2-(3-bromoanilino)ethyl]phthalazin-1-one 2-[2-(3-bromoanilino)ethyl]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) 3.52 7.31 -12.26 1 4 0 47 344.212 4 ↓

Analogs

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Popular Name: 2-[2-(2-methylanilino)ethyl]phthalazin-1-one 2-[2-(2-methylanilino)ethyl]phth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.13 7.48 -13.09 1 4 0 47 279.343 4 ↓

Analogs

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Popular Name: 2-[2-(4-bromoanilino)ethyl]phthalazin-1-one 2-[2-(4-bromoanilino)ethyl]phtha…

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Activity (Go SEA)

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) 3.54 7.31 -12.45 1 4 0 47 344.212 4 ↓

Analogs

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Popular Name: 2-(2-anilinoethyl)phthalazin-1-one 2-(2-anilinoethyl)phthalazin-1-one

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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 6.68 -12.96 1 4 0 47 265.316 4 ↓

Parameters Provided:

ring.id = 72291
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 = 72291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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