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Popular Name: 1-[2-(4-fluoroanilino)ethyl]quinolin-4-one 1-[2-(4-fluoroanilino)ethyl]quin…

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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) 2.26 8.61 -18.28 1 3 0 34 282.318 4 ↓

Analogs

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Popular Name: 1-[2-(2-bromoanilino)ethyl]quinolin-4-one 1-[2-(2-bromoanilino)ethyl]quino…

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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) 2.86 9.26 -15.14 1 3 0 34 343.224 4 ↓

Analogs

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Popular Name: 1-[2-(2-chloroanilino)ethyl]quinolin-4-one 1-[2-(2-chloroanilino)ethyl]quin…

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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 9.14 -15.16 1 3 0 34 298.773 4 ↓

Analogs

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Popular Name: 1-[2-(3-methylanilino)ethyl]quinolin-4-one 1-[2-(3-methylanilino)ethyl]quin…

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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) 2.52 9.21 -16.15 1 3 0 34 278.355 4 ↓

Analogs

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Popular Name: 1-[2-(4-methylanilino)ethyl]quinolin-4-one 1-[2-(4-methylanilino)ethyl]quin…

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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) 2.55 9.22 -16.12 1 3 0 34 278.355 4 ↓

Analogs

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Popular Name: 1-[2-(4-chloroanilino)ethyl]quinolin-4-one 1-[2-(4-chloroanilino)ethyl]quin…

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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) 2.78 9.07 -17.33 1 3 0 34 298.773 4 ↓

Analogs

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Popular Name: 1-[2-(2-fluoroanilino)ethyl]quinolin-4-one 1-[2-(2-fluoroanilino)ethyl]quin…

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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) 2.22 8.64 -15.75 1 3 0 34 282.318 4 ↓

Analogs

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Popular Name: 1-[2-(3-chloroanilino)ethyl]quinolin-4-one 1-[2-(3-chloroanilino)ethyl]quin…

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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) 2.75 9.07 -16.61 1 3 0 34 298.773 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-fluoroanilino)ethyl]quinolin-4-one 1-[2-(3-fluoroanilino)ethyl]quin…

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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) 2.24 8.61 -17.34 1 3 0 34 282.318 4 ↓

Analogs

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Popular Name: 1-[2-(3-bromoanilino)ethyl]quinolin-4-one 1-[2-(3-bromoanilino)ethyl]quino…

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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) 2.88 9.17 -16.58 1 3 0 34 343.224 4 ↓

Analogs

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Popular Name: 1-[2-(2-methylanilino)ethyl]quinolin-4-one 1-[2-(2-methylanilino)ethyl]quin…

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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) 2.50 9.35 -16.23 1 3 0 34 278.355 4 ↓

Analogs

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Popular Name: 1-[2-(4-bromoanilino)ethyl]quinolin-4-one 1-[2-(4-bromoanilino)ethyl]quino…

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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) 2.91 9.17 -17.34 1 3 0 34 343.224 4 ↓

Analogs

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Popular Name: 1-(2-anilinoethyl)quinolin-4-one 1-(2-anilinoethyl)quinolin-4-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) 2.10 8.55 -16.12 1 3 0 34 264.328 4 ↓

Parameters Provided:

ring.id = 77097
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 = 77097 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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