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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-methyl-N1-(8-quinolyl)benzene-1,3-diamine 4-methyl-N1-(8-quinolyl)benzene-…

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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) 3.75 6.05 -7.39 3 3 0 51 249.317 2 ↓
Lo Low (pH 4.5-6) 3.75 6.53 -31.37 4 3 1 52 250.325 2 ↓

Analogs

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Popular Name: N8-ethyl-N8-(m-tolyl)quinoline-5,8-diamine N8-ethyl-N8-(m-tolyl)quinoline-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) 4.23 9.14 -29.2 3 3 1 43 278.379 3 ↓
Mid Mid (pH 6-8) 4.23 8.47 -8.74 2 3 0 42 277.371 3 ↓

Analogs

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Popular Name: 4-nitro-N1-(8-quinolyl)benzene-1,2-diamine 4-nitro-N1-(8-quinolyl)benzene-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) 3.26 6.16 -9.89 3 6 0 97 280.287 3 ↓
Lo Low (pH 4.5-6) 3.26 6.72 -41.86 4 6 1 98 281.295 3 ↓

Analogs

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Popular Name: 5-chloro-2-(8-quinolylamino)benzenecarbothioamide 5-chloro-2-(8-quinolylamino)benz…

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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) 4.29 7.39 -12.83 3 3 0 51 313.813 3 ↓
Lo Low (pH 4.5-6) 4.29 7.88 -30.91 4 3 1 52 314.821 3 ↓

Analogs

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Popular Name: 5-chloro-2-(8-quinolylamino)benzonitrile 5-chloro-2-(8-quinolylamino)benz…

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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) 4.25 8.35 -9.11 1 3 0 49 279.73 2 ↓
Lo Low (pH 4.5-6) 4.25 8.84 -33.72 2 3 1 50 280.738 2 ↓

Analogs

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Popular Name: 2-chloro-6-(8-quinolylamino)benzenecarbothioamide 2-chloro-6-(8-quinolylamino)benz…

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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 7.26 -14.64 3 3 0 51 313.813 3 ↓
Lo Low (pH 4.5-6) 4.27 7.75 -39.21 4 3 1 52 314.821 3 ↓

Analogs

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Popular Name: 2-chloro-6-(8-quinolylamino)benzonitrile 2-chloro-6-(8-quinolylamino)benz…

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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) 4.22 8.11 -11.43 1 3 0 49 279.73 2 ↓
Lo Low (pH 4.5-6) 4.22 8.66 -35.14 2 3 1 50 280.738 2 ↓

Analogs

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Popular Name: 2-[(5-amino-8-quinolyl)amino]-6-fluoro-benzonitrile 2-[(5-amino-8-quinolyl)amino]-6-…

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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) 3.45 5.69 -12.85 3 4 0 75 278.29 2 ↓
Mid Mid (pH 6-8) 3.45 6.23 -35.69 4 4 1 76 279.298 2 ↓

Analogs

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Popular Name: N8-(4-dimethylaminophenyl)quinoline-5,8-diamine N8-(4-dimethylaminophenyl)quinol…

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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) 3.73 6.26 -31.43 4 4 1 55 279.367 3 ↓

Analogs

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Popular Name: 4-chloro-2-(8-quinolylamino)benzenecarbothioamide 4-chloro-2-(8-quinolylamino)benz…

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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) 4.29 7.38 -14.74 3 3 0 51 313.813 3 ↓
Lo Low (pH 4.5-6) 4.29 7.88 -31.05 4 3 1 52 314.821 3 ↓

Analogs

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Popular Name: 4-chloro-2-(8-quinolylamino)benzonitrile 4-chloro-2-(8-quinolylamino)benz…

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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) 4.25 8.23 -9.05 1 3 0 49 279.73 2 ↓
Lo Low (pH 4.5-6) 4.25 8.78 -32.67 2 3 1 50 280.738 2 ↓

Analogs

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Popular Name: 3-chloro-4-(8-quinolylamino)benzonitrile 3-chloro-4-(8-quinolylamino)benz…

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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) 4.25 8.27 -8.79 1 3 0 49 279.73 2 ↓
Lo Low (pH 4.5-6) 4.25 8.83 -36.67 2 3 1 50 280.738 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-(8-quinolylamino)benzenecarbothioamide 3-chloro-4-(8-quinolylamino)benz…

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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) 4.29 7.1 -13.86 3 3 0 51 313.813 3 ↓
Lo Low (pH 4.5-6) 4.29 7.65 -41.74 4 3 1 52 314.821 3 ↓

Analogs

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Popular Name: 4-amino-2-(8-quinolylamino)benzoic 4-amino-2-(8-quinolylamino)benzoic

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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) 2.98 6.06 -59.89 3 5 -1 91 278.291 3 ↓
Lo Low (pH 4.5-6) 2.98 6.55 -54.98 4 5 0 92 279.299 3 ↓

Analogs

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Popular Name: N8-(4-methoxy-3-methyl-phenyl)quinoline-5,8-diamine N8-(4-methoxy-3-methyl-phenyl)qu…

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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) 4.06 5.4 -8.27 3 4 0 60 279.343 3 ↓
Mid Mid (pH 6-8) 4.06 5.88 -33.13 4 4 1 61 280.351 3 ↓

Analogs

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Popular Name: N8-(3-ethoxyphenyl)quinoline-5,8-diamine N8-(3-ethoxyphenyl)quinoline-5,8…

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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) 4.03 5.57 -9 3 4 0 60 279.343 4 ↓
Mid Mid (pH 6-8) 4.03 6.06 -32.75 4 4 1 61 280.351 4 ↓

Parameters Provided:

ring.id = 5743
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 = 5743 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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