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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-(4-benzylpiperazin-1-yl)cinnoline-3-carbonitrile 4-(4-benzylpiperazin-1-yl)cinnol…

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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) 3.24 10.88 -44.98 1 5 1 57 330.415 3 ↓
Mid Mid (pH 6-8) 3.24 8.67 -9.38 0 5 0 56 329.407 3 ↓

Analogs

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Popular Name: 4-[4-(o-tolylmethyl)piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-(o-tolylmethyl)piperazin-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) 3.65 11.55 -44.3 1 5 1 57 344.442 3 ↓
Mid Mid (pH 6-8) 3.65 9.68 -9.52 0 5 0 56 343.434 3 ↓

Analogs

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Popular Name: 4-[4-(m-tolylmethyl)piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-(m-tolylmethyl)piperazin-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) 3.67 11.39 -54.08 1 5 1 57 344.442 3 ↓
Mid Mid (pH 6-8) 3.67 9.18 -9.81 0 5 0 56 343.434 3 ↓

Analogs

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Popular Name: 4-[4-(p-tolylmethyl)piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-(p-tolylmethyl)piperazin-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 11.56 -44.98 1 5 1 57 344.442 3 ↓
Mid Mid (pH 6-8) 3.69 9.35 -9.45 0 5 0 56 343.434 3 ↓

Analogs

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Popular Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-[(2-fluorophenyl)methyl]pip…

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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) 3.36 10.95 -41.15 1 5 1 57 348.405 3 ↓
Mid Mid (pH 6-8) 3.36 8.74 -9.6 0 5 0 56 347.397 3 ↓

Analogs

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Popular Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-[(3-fluorophenyl)methyl]pip…

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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) 3.38 10.79 -59.56 1 5 1 57 348.405 3 ↓
Mid Mid (pH 6-8) 3.38 8.56 -12.03 0 5 0 56 347.397 3 ↓

Analogs

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Popular Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-[(4-fluorophenyl)methyl]pip…

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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) 3.41 10.96 -50.62 1 5 1 57 348.405 3 ↓
Mid Mid (pH 6-8) 3.41 8.74 -9.92 0 5 0 56 347.397 3 ↓

Analogs

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Popular Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-[(2-chlorophenyl)methyl]pip…

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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 11.36 -39.72 1 5 1 57 364.86 3 ↓
Mid Mid (pH 6-8) 3.87 9.13 -8.86 0 5 0 56 363.852 3 ↓

Analogs

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Popular Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]cinnoline-3-carbonitrile 4-[4-[(4-chlorophenyl)methyl]pip…

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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) 3.92 11.41 -49.61 1 5 1 57 364.86 3 ↓
Mid Mid (pH 6-8) 3.92 9.2 -9.3 0 5 0 56 363.852 3 ↓

Analogs

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Popular Name: 4-(4-benzylpiperazin-1-yl)-6-methyl-cinnoline-3-carbonitrile 4-(4-benzylpiperazin-1-yl)-6-met…

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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 11.38 -53.12 1 5 1 57 344.442 3 ↓
Mid Mid (pH 6-8) 3.67 9.14 -9.15 0 5 0 56 343.434 3 ↓

Analogs

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Popular Name: 6-methyl-4-[4-(o-tolylmethyl)piperazin-1-yl]cinnoline-3-carbonitrile 6-methyl-4-[4-(o-tolylmethyl)pip…

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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) 4.07 12.05 -52.66 1 5 1 57 358.469 3 ↓
Mid Mid (pH 6-8) 4.07 10.15 -8.97 0 5 0 56 357.461 3 ↓

Analogs

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Popular Name: 6-methyl-4-[4-(m-tolylmethyl)piperazin-1-yl]cinnoline-3-carbonitrile 6-methyl-4-[4-(m-tolylmethyl)pip…

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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) 4.09 12.21 -44.29 1 5 1 57 358.469 3 ↓
Mid Mid (pH 6-8) 4.09 9.99 -8.71 0 5 0 56 357.461 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-4-[4-(p-tolylmethyl)piperazin-1-yl]cinnoline-3-carbonitrile 6-methyl-4-[4-(p-tolylmethyl)pip…

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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 12.21 -44.29 1 5 1 57 358.469 3 ↓
Mid Mid (pH 6-8) 4.12 10 -8.72 0 5 0 56 357.461 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-cinnoline-3-carbonitrile 4-[4-[(2-fluorophenyl)methyl]pip…

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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) 3.78 11.45 -52.09 1 5 1 57 362.432 3 ↓
Mid Mid (pH 6-8) 3.78 9.22 -11.06 0 5 0 56 361.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-cinnoline-3-carbonitrile 4-[4-[(3-fluorophenyl)methyl]pip…

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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) 3.81 11.45 -58.72 1 5 1 57 362.432 3 ↓
Mid Mid (pH 6-8) 3.81 9.21 -11.27 0 5 0 56 361.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-cinnoline-3-carbonitrile 4-[4-[(4-fluorophenyl)methyl]pip…

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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) 3.83 11.45 -59.89 1 5 1 57 362.432 3 ↓
Mid Mid (pH 6-8) 3.83 9.21 -10.76 0 5 0 56 361.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-cinnoline-3-carbonitrile 4-[4-[(2-chlorophenyl)methyl]pip…

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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) 4.30 11.86 -50.79 1 5 1 57 378.887 3 ↓
Mid Mid (pH 6-8) 4.30 9.61 -10.06 0 5 0 56 377.879 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-cinnoline-3-carbonitrile 4-[4-[(4-chlorophenyl)methyl]pip…

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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) 4.35 11.9 -58.69 1 5 1 57 378.887 3 ↓
Mid Mid (pH 6-8) 4.35 9.66 -9.98 0 5 0 56 377.879 3 ↓

Parameters Provided:

ring.id = 544342
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 = 544342 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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