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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: 2,6-difluoro-N1-(4-pyrrolidin-1-ylphenyl)benzene-1,4-diamine 2,6-difluoro-N1-(4-pyrrolidin-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) 3.69 6.73 -6.92 3 3 0 41 289.329 3 ↓

Analogs

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Popular Name: 5-amino-2-(4-pyrrolidin-1-ylanilino)benzonitrile 5-amino-2-(4-pyrrolidin-1-ylanil…

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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 6.77 -6.2 3 4 0 65 278.359 3 ↓

Analogs

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Popular Name: 2-methyl-N1-(4-pyrrolidin-1-ylphenyl)benzene-1,3-diamine 2-methyl-N1-(4-pyrrolidin-1-ylph…

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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 7.25 -4.96 3 3 0 41 267.376 3 ↓

Analogs

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Popular Name: 4-fluoro-N1-(4-pyrrolidin-1-ylphenyl)benzene-1,2-diamine 4-fluoro-N1-(4-pyrrolidin-1-ylph…

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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) 4.01 6.72 -4.96 3 3 0 41 271.339 3 ↓

Analogs

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Popular Name: 2-chloro-N1-(4-pyrrolidin-1-ylphenyl)benzene-1,4-diamine 2-chloro-N1-(4-pyrrolidin-1-ylph…

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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) 4.12 6.96 -4.18 3 3 0 41 287.794 3 ↓

Analogs

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Popular Name: N1-(4-pyrrolidin-1-ylphenyl)benzene-1,4-diamine N1-(4-pyrrolidin-1-ylphenyl)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) 3.51 6.39 -4.66 3 3 0 41 253.349 3 ↓
Lo Low (pH 4.5-6) 3.51 6.25 -43.14 4 3 1 43 254.357 3 ↓

Analogs

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Popular Name: 4-chloro-N1-(4-pyrrolidin-1-ylphenyl)benzene-1,2-diamine 4-chloro-N1-(4-pyrrolidin-1-ylph…

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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) 4.52 7.17 -4.32 3 3 0 41 287.794 3 ↓

Analogs

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Popular Name: 2-fluoro-N1-(4-pyrrolidin-1-ylphenyl)benzene-1,4-diamine 2-fluoro-N1-(4-pyrrolidin-1-ylph…

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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) 3.60 6.48 -4.8 3 3 0 41 271.339 3 ↓

Analogs

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Popular Name: N1-(4-pyrrolidin-1-ylphenyl)benzene-1,3-diamine N1-(4-pyrrolidin-1-ylphenyl)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) 3.49 6.37 -4.72 3 3 0 41 253.349 3 ↓

Analogs

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Popular Name: 3-chloro-N2-(4-pyrrolidin-1-ylphenyl)benzene-1,2-diamine 3-chloro-N2-(4-pyrrolidin-1-ylph…

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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 7.38 -4.6 3 3 0 41 287.794 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N1-(4-pyrrolidin-1-ylphenyl)benzene-1,4-diamine 2-methyl-N1-(4-pyrrolidin-1-ylph…

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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) 3.89 7.15 -4.8 3 3 0 41 267.376 3 ↓
Lo Low (pH 4.5-6) 3.89 7.01 -42.19 4 3 1 43 268.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N1-(4-pyrrolidin-1-ylphenyl)benzene-1,2-diamine 4-methyl-N1-(4-pyrrolidin-1-ylph…

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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 7.33 -4.75 3 3 0 41 267.376 3 ↓
Lo Low (pH 4.5-6) 4.29 7.17 -42.31 4 3 1 43 268.384 3 ↓

Analogs

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Popular Name: 2-methyl-N4-(4-pyrrolidin-1-ylphenyl)benzene-1,4-diamine 2-methyl-N4-(4-pyrrolidin-1-ylph…

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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 7.16 -4.81 3 3 0 41 267.376 3 ↓
Lo Low (pH 4.5-6) 4.29 7.01 -42.32 4 3 1 43 268.384 3 ↓

Analogs

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Popular Name: 3-amino-4-(4-pyrrolidin-1-ylanilino)benzonitrile 3-amino-4-(4-pyrrolidin-1-ylanil…

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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) 3.60 7.04 -6.62 3 4 0 65 278.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N1-(4-pyrrolidin-1-ylphenyl)benzene-1,2-diamine 3-fluoro-N1-(4-pyrrolidin-1-ylph…

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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) 3.98 6.75 -4.51 3 3 0 41 271.339 3 ↓

Analogs

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Popular Name: 5-fluoro-N3-(4-pyrrolidin-1-ylphenyl)benzene-1,3-diamine 5-fluoro-N3-(4-pyrrolidin-1-ylph…

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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) 3.60 6.46 -4.67 3 3 0 41 271.339 3 ↓

Analogs

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Popular Name: 3,4-difluoro-N2-(4-pyrrolidin-1-ylphenyl)benzene-1,2-diamine 3,4-difluoro-N2-(4-pyrrolidin-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) 4.10 6.91 -7.58 3 3 0 41 289.329 3 ↓

Analogs

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Popular Name: 4-methyl-N3-(4-pyrrolidin-1-ylphenyl)benzene-1,3-diamine 4-methyl-N3-(4-pyrrolidin-1-ylph…

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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) 3.89 7.17 -4.7 3 3 0 41 267.376 3 ↓
Lo Low (pH 4.5-6) 3.89 7.01 -40.66 4 3 1 43 268.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N1-(4-pyrrolidin-1-ylphenyl)benzene-1,3-diamine 4-methyl-N1-(4-pyrrolidin-1-ylph…

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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 7.15 -4.72 3 3 0 41 267.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N2-(4-pyrrolidin-1-ylphenyl)benzene-1,2-diamine 4-fluoro-N2-(4-pyrrolidin-1-ylph…

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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) 4.01 6.72 -5.94 3 3 0 41 271.339 3 ↓
Lo Low (pH 4.5-6) 4.01 6.57 -48.12 4 3 1 43 272.347 3 ↓

Analogs

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Popular Name: 3-fluoro-4-(4-pyrrolidin-1-ylanilino)benzonitrile 3-fluoro-4-(4-pyrrolidin-1-ylani…

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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) 4.28 8.99 -5.57 1 3 0 39 281.334 3 ↓

Analogs

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Popular Name: 4-methyl-2-(4-pyrrolidin-1-ylanilino)benzonitrile 4-methyl-2-(4-pyrrolidin-1-ylani…

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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 9.55 -5.74 1 3 0 39 277.371 3 ↓

Analogs

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Popular Name: 5-chloro-2-(4-pyrrolidin-1-ylanilino)benzonitrile 5-chloro-2-(4-pyrrolidin-1-ylani…

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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) 4.80 9.41 -4.77 1 3 0 39 297.789 3 ↓

Analogs

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Popular Name: 3-chloro-4-(4-pyrrolidin-1-ylanilino)benzonitrile 3-chloro-4-(4-pyrrolidin-1-ylani…

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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) 4.80 9.46 -5.26 1 3 0 39 297.789 3 ↓

Analogs

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Popular Name: 2-chloro-4-(4-pyrrolidin-1-ylanilino)benzonitrile 2-chloro-4-(4-pyrrolidin-1-ylani…

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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) 4.80 9.33 -6.45 1 3 0 39 297.789 3 ↓

Analogs

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Popular Name: 4-chloro-2-(4-pyrrolidin-1-ylanilino)benzonitrile 4-chloro-2-(4-pyrrolidin-1-ylani…

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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) 4.80 9.42 -4.96 1 3 0 39 297.789 3 ↓

Analogs

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Popular Name: 4-(4-pyrrolidin-1-ylanilino)benzenecarbothioamide 4-(4-pyrrolidin-1-ylanilino)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) 4.23 7.75 -13.82 3 3 0 41 297.427 4 ↓

Analogs

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Popular Name: 2-(4-pyrrolidin-1-ylanilino)benzenecarbothioamide 2-(4-pyrrolidin-1-ylanilino)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) 4.19 8.05 -12.2 3 3 0 41 297.427 4 ↓

Analogs

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Popular Name: 4-(4-pyrrolidin-1-ylanilino)benzoic 4-(4-pyrrolidin-1-ylanilino)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) 4.34 9.04 -51.7 1 4 -1 55 281.335 4 ↓

Analogs

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Popular Name: 2-(4-pyrrolidin-1-ylanilino)benzoic 2-(4-pyrrolidin-1-ylanilino)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) 4.48 9.25 -53.59 1 4 -1 55 281.335 4 ↓

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ring.id = 78934
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 78934 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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