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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-(5-quinolyl)benzene-1,3-diamine 4-methyl-N1-(5-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) 4.05 5.94 -7.63 3 3 0 51 249.317 2 ↓
Mid Mid (pH 6-8) 4.05 6.36 -31.76 4 3 1 52 250.325 2 ↓

Analogs

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Popular Name: N5-ethyl-N5-(m-tolyl)quinoline-5,8-diamine N5-ethyl-N5-(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 8.75 -5.78 2 3 0 42 277.371 3 ↓
Mid Mid (pH 6-8) 4.23 9.24 -32.03 3 3 1 43 278.379 3 ↓

Analogs

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Popular Name: 4-nitro-N1-(5-quinolyl)benzene-1,2-diamine 4-nitro-N1-(5-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) 3.56 6.16 -11.09 3 6 0 97 280.287 3 ↓
Mid Mid (pH 6-8) 3.56 6.59 -42.29 4 6 1 98 281.295 3 ↓

Analogs

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Popular Name: 5-chloro-2-(5-quinolylamino)benzenecarbothioamide 5-chloro-2-(5-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) 4.59 7.28 -13.32 3 3 0 51 313.813 3 ↓
Mid Mid (pH 6-8) 4.59 7.7 -31.55 4 3 1 52 314.821 3 ↓

Analogs

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Popular Name: 5-chloro-2-(5-quinolylamino)benzonitrile 5-chloro-2-(5-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) 4.55 8.24 -8.71 1 3 0 49 279.73 2 ↓
Mid Mid (pH 6-8) 4.55 8.67 -34.91 2 3 1 50 280.738 2 ↓

Analogs

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Popular Name: 2-chloro-6-(5-quinolylamino)benzenecarbothioamide 2-chloro-6-(5-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) 4.57 7.15 -14.22 3 3 0 51 313.813 3 ↓
Mid Mid (pH 6-8) 4.57 7.57 -40.49 4 3 1 52 314.821 3 ↓

Analogs

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Popular Name: 2-chloro-6-(5-quinolylamino)benzonitrile 2-chloro-6-(5-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) 4.53 8.11 -9.34 1 3 0 49 279.73 2 ↓
Mid Mid (pH 6-8) 4.53 8.53 -37.64 2 3 1 50 280.738 2 ↓

Analogs

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Popular Name: 2-[(8-amino-5-quinolyl)amino]-6-fluoro-benzonitrile 2-[(8-amino-5-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 5.8 -9.6 3 4 0 75 278.29 2 ↓
Lo Low (pH 4.5-6) 3.45 6.29 -38.11 4 4 1 76 279.298 2 ↓

Analogs

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Popular Name: N5-(4-dimethylaminophenyl)quinoline-5,8-diamine N5-(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 5.77 -7.36 3 4 0 54 278.359 3 ↓

Analogs

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Popular Name: 4-chloro-2-(5-quinolylamino)benzenecarbothioamide 4-chloro-2-(5-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) 4.59 7.28 -14.8 3 3 0 51 313.813 3 ↓
Mid Mid (pH 6-8) 4.59 7.7 -31.93 4 3 1 52 314.821 3 ↓

Analogs

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Popular Name: 4-chloro-2-(5-quinolylamino)benzonitrile 4-chloro-2-(5-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) 4.55 8.22 -7.58 1 3 0 49 279.73 2 ↓
Mid Mid (pH 6-8) 4.55 8.65 -34.72 2 3 1 50 280.738 2 ↓

Analogs

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Popular Name: 3-chloro-4-(5-quinolylamino)benzonitrile 3-chloro-4-(5-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) 4.55 8.27 -8.4 1 3 0 49 279.73 2 ↓
Mid Mid (pH 6-8) 4.55 8.7 -38.09 2 3 1 50 280.738 2 ↓

Analogs

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Popular Name: 3-chloro-4-(5-quinolylamino)benzenecarbothioamide 3-chloro-4-(5-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) 4.59 7.1 -13.84 3 3 0 51 313.813 3 ↓
Mid Mid (pH 6-8) 4.59 7.52 -42.89 4 3 1 52 314.821 3 ↓

Analogs

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Popular Name: 4-amino-2-(5-quinolylamino)benzoic 4-amino-2-(5-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) 3.29 5.87 -55.72 3 5 -1 91 278.291 3 ↓
Mid Mid (pH 6-8) 3.29 6.29 -58.15 4 5 0 92 279.299 3 ↓

Analogs

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Popular Name: N5-(4-methoxy-3-methyl-phenyl)quinoline-5,8-diamine N5-(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 5.39 -7.71 3 4 0 60 279.343 3 ↓
Lo Low (pH 4.5-6) 4.06 5.88 -33.33 4 4 1 61 280.351 3 ↓

Analogs

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Popular Name: N5-(3-ethoxyphenyl)quinoline-5,8-diamine N5-(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 -8.43 3 4 0 60 279.343 4 ↓
Lo Low (pH 4.5-6) 4.03 6.06 -33.09 4 4 1 61 280.351 4 ↓

Analogs

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Popular Name: N5-(5-bromo-2-methoxy-phenyl)quinoline-5,8-diamine N5-(5-bromo-2-methoxy-phenyl)qui…

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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 5.35 -7.35 3 4 0 60 344.212 3 ↓
Lo Low (pH 4.5-6) 4.42 5.84 -31.93 4 4 1 61 345.22 3 ↓

Analogs

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Popular Name: N5-(4-fluoro-2-methoxy-phenyl)quinoline-5,8-diamine N5-(4-fluoro-2-methoxy-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) 3.77 4.8 -7.18 3 4 0 60 283.306 3 ↓
Lo Low (pH 4.5-6) 3.77 5.28 -32.93 4 4 1 61 284.314 3 ↓

Parameters Provided:

ring.id = 5787
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 = 5787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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