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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: N1-(1,3-benzodioxol-5-yl)-4-methyl-benzene-1,3-diamine N1-(1,3-benzodioxol-5-yl)-4-meth…

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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) 3.68 4.11 -5.92 3 4 0 57 242.278 2 ↓

Analogs

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Popular Name: N1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-benzene-1,3-diamine N1-(2,2-difluoro-1,3-benzodioxol…

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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) 4.31 4.54 -4.99 3 4 0 57 278.258 2 ↓

Analogs

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Popular Name: N1-(1,3-benzodioxol-5-yl)-4-nitro-benzene-1,2-diamine N1-(1,3-benzodioxol-5-yl)-4-nitr…

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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) 3.19 4.33 -10.14 3 7 0 102 273.248 3 ↓

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-ylamino)-5-chloro-benzenecarbothioamide 2-(1,3-benzodioxol-5-ylamino)-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) 4.22 5.46 -12.27 3 4 0 57 306.774 3 ↓

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-ylamino)-5-chloro-benzonitrile 2-(1,3-benzodioxol-5-ylamino)-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) 4.18 6.36 -6.64 1 4 0 54 272.691 2 ↓

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-ylamino)-6-chloro-benzenecarbothioamide 2-(1,3-benzodioxol-5-ylamino)-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) 4.20 5.24 -13.84 3 4 0 57 306.774 3 ↓

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-ylamino)-5-fluoro-benzonitrile 2-(1,3-benzodioxol-5-ylamino)-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) 3.67 5.92 -7.01 1 4 0 54 256.236 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]benzonitrile 4-[(2,2-difluoro-1,3-benzodioxol…

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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) 4.20 6.3 -11.65 1 4 0 54 274.226 2 ↓

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-ylamino)-4-chloro-benzenecarbothioamide 2-(1,3-benzodioxol-5-ylamino)-4-…

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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 5.47 -13.74 3 4 0 57 306.774 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-benzodioxol-5-ylamino)-4-chloro-benzonitrile 2-(1,3-benzodioxol-5-ylamino)-4-…

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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) 4.18 6.37 -7.05 1 4 0 54 272.691 2 ↓

Analogs

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Popular Name: 4-(1,3-benzodioxol-5-ylamino)-3-chloro-benzonitrile 4-(1,3-benzodioxol-5-ylamino)-3-…

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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) 4.18 6.42 -7.49 1 4 0 54 272.691 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-benzodioxol-5-ylamino)-3-chloro-benzenecarbothioamide 4-(1,3-benzodioxol-5-ylamino)-3-…

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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 5.25 -13.8 3 4 0 57 306.774 3 ↓

Analogs

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Popular Name: 4-(1,3-benzodioxol-5-ylamino)-3,5-difluoro-benzoic 4-(1,3-benzodioxol-5-ylamino)-3,…

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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) 3.91 6.37 -41.34 1 5 -1 71 292.217 3 ↓

Analogs

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Popular Name: 4-amino-2-(1,3-benzodioxol-5-ylamino)benzoic 4-amino-2-(1,3-benzodioxol-5-yla…

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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) 2.92 4.16 -52.16 3 6 -1 97 271.252 3 ↓

Analogs

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Popular Name: N-(2-fluoro-4-nitro-phenyl)-1,3-benzodioxol-5-amine N-(2-fluoro-4-nitro-phenyl)-1,3-…

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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) 3.87 6.27 -8.3 1 6 0 76 276.223 3 ↓

Parameters Provided:

ring.id = 5695
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 = 5695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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