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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: 4-fluoro-N-(2-quinazolin-4-ylsulfanylethyl)aniline 4-fluoro-N-(2-quinazolin-4-ylsul…

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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) 3.90 8.65 -9 1 3 0 38 299.374 5 ↓

Analogs

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Popular Name: 2-bromo-N-(2-quinazolin-4-ylsulfanylethyl)aniline 2-bromo-N-(2-quinazolin-4-ylsulf…

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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) 4.50 9.3 -8.3 1 3 0 38 360.28 5 ↓

Analogs

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Popular Name: 2-chloro-N-(2-quinazolin-4-ylsulfanylethyl)aniline 2-chloro-N-(2-quinazolin-4-ylsul…

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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) 4.37 9.17 -8.3 1 3 0 38 315.829 5 ↓

Analogs

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Popular Name: 3-methyl-N-(2-quinazolin-4-ylsulfanylethyl)aniline 3-methyl-N-(2-quinazolin-4-ylsul…

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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) 4.17 9.24 -8.03 1 3 0 38 295.411 5 ↓

Analogs

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Popular Name: 4-methyl-N-(2-quinazolin-4-ylsulfanylethyl)aniline 4-methyl-N-(2-quinazolin-4-ylsul…

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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) 4.19 9.25 -7.89 1 3 0 38 295.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(2-quinazolin-4-ylsulfanylethyl)aniline 4-chloro-N-(2-quinazolin-4-ylsul…

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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 9.1 -8.21 1 3 0 38 315.829 5 ↓

Analogs

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Popular Name: 2-fluoro-N-(2-quinazolin-4-ylsulfanylethyl)aniline 2-fluoro-N-(2-quinazolin-4-ylsul…

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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) 3.86 8.67 -9.09 1 3 0 38 299.374 5 ↓

Analogs

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Popular Name: 3-chloro-N-(2-quinazolin-4-ylsulfanylethyl)aniline 3-chloro-N-(2-quinazolin-4-ylsul…

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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) 4.39 9.09 -8.27 1 3 0 38 315.829 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-(2-quinazolin-4-ylsulfanylethyl)aniline 3-fluoro-N-(2-quinazolin-4-ylsul…

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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) 3.88 8.64 -9 1 3 0 38 299.374 5 ↓

Analogs

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Popular Name: 3-bromo-N-(2-quinazolin-4-ylsulfanylethyl)aniline 3-bromo-N-(2-quinazolin-4-ylsulf…

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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) 4.53 9.19 -8.28 1 3 0 38 360.28 5 ↓

Analogs

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Popular Name: 2-methyl-N-(2-quinazolin-4-ylsulfanylethyl)aniline 2-methyl-N-(2-quinazolin-4-ylsul…

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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) 4.14 9.36 -7.97 1 3 0 38 295.411 5 ↓

Analogs

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Popular Name: N-[(2S)-2-quinazolin-4-ylsulfanylpropyl]aniline N-[(2S)-2-quinazolin-4-ylsulfany…

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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) 4.10 9.64 -7.35 1 3 0 38 295.411 5 ↓

Analogs

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Popular Name: N-[(2R)-2-quinazolin-4-ylsulfanylpropyl]aniline N-[(2R)-2-quinazolin-4-ylsulfany…

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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) 4.10 9.64 -7.34 1 3 0 38 295.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(2-quinazolin-4-ylsulfanylethyl)aniline 4-bromo-N-(2-quinazolin-4-ylsulf…

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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) 4.55 9.2 -8.14 1 3 0 38 360.28 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-quinazolin-4-ylsulfanylethyl)aniline N-(2-quinazolin-4-ylsulfanylethy…

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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) 3.74 8.58 -7.92 1 3 0 38 281.384 5 ↓

Parameters Provided:

ring.id = 99125
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 = 99125 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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