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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: 1-[4-[4-(4-hydroxy-1-piperidyl)anilino]-3-nitro-phenyl]ethanone 1-[4-[4-(4-hydroxy-1-piperidyl)a…

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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) 2.84 7.17 -18.53 2 7 0 98 355.394 5 ↓
Mid Mid (pH 6-8) 2.84 7.83 -45.68 3 7 1 100 356.402 5 ↓

Analogs

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Popular Name: 4-[4-(4-hydroxy-1-piperidyl)anilino]-3-nitro-benzonitrile 4-[4-(4-hydroxy-1-piperidyl)anil…

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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) 2.70 7.12 -12.76 2 7 0 105 338.367 4 ↓
Mid Mid (pH 6-8) 2.70 7.68 -41.4 3 7 1 106 339.375 4 ↓

Analogs

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Popular Name: 2-[4-(4-hydroxy-1-piperidyl)anilino]-5-nitro-benzonitrile 2-[4-(4-hydroxy-1-piperidyl)anil…

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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) 2.70 6.93 -9.79 2 7 0 105 338.367 4 ↓
Mid Mid (pH 6-8) 2.70 7.57 -48.19 3 7 1 106 339.375 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.30 7.33 -10.46 2 8 0 108 371.393 6 ↓
Mid Mid (pH 6-8) 3.30 8.08 -39.03 3 8 1 109 372.401 6 ↓

Analogs

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Popular Name: 1-[4-(4-fluoro-2-nitro-anilino)phenyl]piperidin-4-ol 1-[4-(4-fluoro-2-nitro-anilino)p…

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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) 3.11 6.71 -10.27 2 6 0 81 331.347 4 ↓
Mid Mid (pH 6-8) 3.11 7.35 -37.45 3 6 1 83 332.355 4 ↓

Analogs

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Popular Name: 2-methyl-N1-[4-(1-piperidyl)phenyl]benzene-1,3-diamine 2-methyl-N1-[4-(1-piperidyl)phen…

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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) 4.78 8.59 -32.09 4 3 1 42 282.411 3 ↓
Mid Mid (pH 6-8) 4.78 7.95 -4.62 3 3 0 41 281.403 3 ↓

Analogs

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Popular Name: 4-fluoro-N1-[4-(1-piperidyl)phenyl]benzene-1,2-diamine 4-fluoro-N1-[4-(1-piperidyl)phen…

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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) 4.51 8.05 -34.21 4 3 1 42 286.374 3 ↓
Mid Mid (pH 6-8) 4.51 7.41 -4.61 3 3 0 41 285.366 3 ↓

Analogs

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Popular Name: N1-[4-(1-piperidyl)phenyl]benzene-1,4-diamine N1-[4-(1-piperidyl)phenyl]benzen…

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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 7.71 -30.63 4 3 1 42 268.384 3 ↓
Mid Mid (pH 6-8) 4.01 7.07 -4.17 3 3 0 41 267.376 3 ↓
Lo Low (pH 4.5-6) 4.01 7.57 -83.14 5 3 2 44 269.392 3 ↓

Analogs

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Popular Name: 4-chloro-N1-[4-(1-piperidyl)phenyl]benzene-1,2-diamine 4-chloro-N1-[4-(1-piperidyl)phen…

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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) 5.03 8.5 -33.47 4 3 1 42 302.829 3 ↓
Mid Mid (pH 6-8) 5.03 7.86 -3.98 3 3 0 41 301.821 3 ↓

Analogs

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Popular Name: 2-fluoro-N1-[4-(1-piperidyl)phenyl]benzene-1,4-diamine 2-fluoro-N1-[4-(1-piperidyl)phen…

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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) 4.11 7.8 -33.43 4 3 1 42 286.374 3 ↓
Mid Mid (pH 6-8) 4.11 7.14 -4.58 3 3 0 41 285.366 3 ↓

Analogs

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Popular Name: N1-[4-(1-piperidyl)phenyl]benzene-1,3-diamine N1-[4-(1-piperidyl)phenyl]benzen…

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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) 3.99 7.7 -31.62 4 3 1 42 268.384 3 ↓
Mid Mid (pH 6-8) 3.99 7.07 -4.26 3 3 0 41 267.376 3 ↓

Analogs

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Popular Name: 3-chloro-N2-[4-(1-piperidyl)phenyl]benzene-1,2-diamine 3-chloro-N2-[4-(1-piperidyl)phen…

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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) 5.00 8.7 -29.23 4 3 1 42 302.829 3 ↓
Mid Mid (pH 6-8) 5.00 8.07 -4.12 3 3 0 41 301.821 3 ↓

Analogs

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Popular Name: 2-methyl-N1-[4-(1-piperidyl)phenyl]benzene-1,4-diamine 2-methyl-N1-[4-(1-piperidyl)phen…

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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 8.47 -31.67 4 3 1 42 282.411 3 ↓
Mid Mid (pH 6-8) 4.39 7.84 -4.39 3 3 0 41 281.403 3 ↓
Lo Low (pH 4.5-6) 4.39 8.33 -83.28 5 3 2 44 283.419 3 ↓

Analogs

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Popular Name: 4-methyl-N1-[4-(1-piperidyl)phenyl]benzene-1,2-diamine 4-methyl-N1-[4-(1-piperidyl)phen…

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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 8.65 -31.91 4 3 1 42 282.411 3 ↓
Mid Mid (pH 6-8) 4.80 8.02 -4.32 3 3 0 41 281.403 3 ↓
Lo Low (pH 4.5-6) 4.80 8.49 -85.91 5 3 2 44 283.419 3 ↓

Analogs

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Popular Name: 2-methyl-N4-[4-(1-piperidyl)phenyl]benzene-1,4-diamine 2-methyl-N4-[4-(1-piperidyl)phen…

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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 8.48 -30.78 4 3 1 42 282.411 3 ↓
Mid Mid (pH 6-8) 4.80 7.84 -4.41 3 3 0 41 281.403 3 ↓
Lo Low (pH 4.5-6) 4.80 8.33 -81.68 5 3 2 44 283.419 3 ↓

Analogs

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Popular Name: 3-fluoro-N1-[4-(1-piperidyl)phenyl]benzene-1,2-diamine 3-fluoro-N1-[4-(1-piperidyl)phen…

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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) 4.49 8.07 -34.4 4 3 1 42 286.374 3 ↓
Mid Mid (pH 6-8) 4.49 7.45 -4.18 3 3 0 41 285.366 3 ↓

Analogs

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Popular Name: 5-fluoro-N3-[4-(1-piperidyl)phenyl]benzene-1,3-diamine 5-fluoro-N3-[4-(1-piperidyl)phen…

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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) 4.11 7.77 -33.49 4 3 1 42 286.374 3 ↓
Mid Mid (pH 6-8) 4.11 7.15 -4.31 3 3 0 41 285.366 3 ↓

Analogs

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Popular Name: 4-methyl-N3-[4-(1-piperidyl)phenyl]benzene-1,3-diamine 4-methyl-N3-[4-(1-piperidyl)phen…

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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 8.49 -32.6 4 3 1 42 282.411 3 ↓
Mid Mid (pH 6-8) 4.39 7.86 -4.35 3 3 0 41 281.403 3 ↓
Lo Low (pH 4.5-6) 4.39 8.33 -90.64 5 3 2 44 283.419 3 ↓

Analogs

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Popular Name: 4-methyl-N1-[4-(1-piperidyl)phenyl]benzene-1,3-diamine 4-methyl-N1-[4-(1-piperidyl)phen…

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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 8.48 -31.56 4 3 1 42 282.411 3 ↓
Mid Mid (pH 6-8) 4.80 7.85 -4.31 3 3 0 41 281.403 3 ↓

Analogs

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Popular Name: 4-fluoro-N2-[4-(1-piperidyl)phenyl]benzene-1,2-diamine 4-fluoro-N2-[4-(1-piperidyl)phen…

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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) 4.51 8.05 -32.69 4 3 1 42 286.374 3 ↓
Mid Mid (pH 6-8) 4.51 7.41 -5.52 3 3 0 41 285.366 3 ↓
Lo Low (pH 4.5-6) 4.51 7.89 -91.16 5 3 2 44 287.382 3 ↓

Analogs

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Popular Name: 1-[4-[4-(trifluoromethylsulfonyl)anilino]phenyl]piperidin-4-ol 1-[4-[4-(trifluoromethylsulfonyl…

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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) 5.47 3.99 -9.22 2 5 0 70 400.422 5 ↓
Mid Mid (pH 6-8) 5.47 4.61 -41.6 3 5 1 71 401.43 5 ↓

Parameters Provided:

ring.id = 174174
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 = 174174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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