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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-1-[1-(3-methylbut-2-enyl)-4-piperidyl]triazole-4-carboxamide N-(2-methoxyethyl)-1-[1-(3-methy…

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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) 1.37 -0.53 -48.13 2 7 1 73 322.433 7 ↓

Analogs

11997204
11997204

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Popular Name: 1-[1-[(2S)-2,6-dimethylhept-5-enyl]-4-piperidyl]-N-(2-hydroxyethyl)triazole-4-carboxamide 1-[1-[(2S)-2,6-dimethylhept-5-en…

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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) 2.27 -1.76 -51.36 3 7 1 84 364.514 9 ↓

Analogs

11997201
11997201

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Popular Name: 1-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-piperidyl]-N-(2-hydroxyethyl)triazole-4-carboxamide 1-[1-[(2R)-2,6-dimethylhept-5-en…

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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) 2.27 -1.81 -51.64 3 7 1 84 364.514 9 ↓

Analogs

12163734
12163734

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Popular Name: 1-(1-isobutyl-4-piperidyl)-N-isopropyl-triazole-4-carboxamide 1-(1-isobutyl-4-piperidyl)-N-iso…

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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) 1.50 0.63 -46.63 2 6 1 64 294.423 5 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-1-[1-[(E)-2-methylbut-2-enyl]-4-piperidyl]triazole-4-carboxamide N-(2-methoxyethyl)-1-[1-[(E)-2-m…

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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) 1.13 -0.51 -47.87 2 7 1 73 322.433 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.12 5.05 -13.68 1 8 0 89 347.419 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.21 5.93 -13.38 0 8 0 81 337.424 4 ↓

Analogs

52221499
52221499
52222766
52222766
52222768
52222768

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Popular Name: [1-(1-hexyl-4-piperidyl)triazol-4-yl]methanol [1-(1-hexyl-4-piperidyl)triazol-…

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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) 2.30 5.18 -48.09 2 5 1 55 267.397 7 ↓

Analogs

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Popular Name: N-[(1S)-1-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]butyl]acetamide N-[(1S)-1-[4-(4-tert-butyltriazo…

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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) 2.11 5.97 -13.05 1 7 0 80 349.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]butyl]acetamide N-[(1R)-1-[4-(4-tert-butyltriazo…

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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) 2.11 6.02 -13.05 1 7 0 80 349.479 6 ↓

Analogs

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Popular Name: 3-[1-[1-[(2R)-2-methylpentyl]-4-piperidyl]triazol-4-yl]propan-1-ol 3-[1-[1-[(2R)-2-methylpentyl]-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) 2.51 6.43 -51.98 2 5 1 55 295.451 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[1-[(2S)-2-methylpentyl]-4-piperidyl]triazol-4-yl]propan-1-ol 3-[1-[1-[(2S)-2-methylpentyl]-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) 2.51 6.41 -52.32 2 5 1 55 295.451 8 ↓

Analogs

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Popular Name: 1-hexyl-4-[4-(methoxymethyl)triazol-1-yl]piperidine 1-hexyl-4-[4-(methoxymethyl)tria…

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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) 2.91 7.57 -47.33 1 5 1 44 281.424 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[1-[(2S)-2,6-dimethylhept-5-enyl]-4-piperidyl]triazol-4-yl]propan-2-ol 2-[1-[1-[(2S)-2,6-dimethylhept-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) 3.86 8.22 -53.59 2 5 1 55 335.516 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-piperidyl]triazol-4-yl]propan-2-ol 2-[1-[1-[(2R)-2,6-dimethylhept-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) 3.86 8.25 -53.49 2 5 1 55 335.516 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-1-[1-[1-[(2R)-2-methylpentyl]-4-piperidyl]triazol-4-yl]methanamine N,N-dimethyl-1-[1-[1-[(2R)-2-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) 2.50 9.63 -96.15 2 5 2 40 295.475 7 ↓
Hi High (pH 8-9.5) 2.50 6.96 -49.64 1 5 1 38 294.467 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-1-[1-[1-[(2S)-2-methylpentyl]-4-piperidyl]triazol-4-yl]methanamine N,N-dimethyl-1-[1-[1-[(2S)-2-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) 2.50 9.61 -96.34 2 5 2 40 295.475 7 ↓
Hi High (pH 8-9.5) 2.50 6.94 -49.82 1 5 1 38 294.467 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(1-hexyl-4-piperidyl)triazol-4-yl]propan-1-ol 3-[1-(1-hexyl-4-piperidyl)triazo…

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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) 2.78 6.65 -52.95 2 5 1 55 295.451 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[1-[(2S)-2,6-dimethylhept-5-enyl]-4-piperidyl]triazol-4-yl]propan-1-ol 3-[1-[1-[(2S)-2,6-dimethylhept-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) 3.53 8.39 -53.51 2 5 1 55 335.516 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-piperidyl]triazol-4-yl]propan-1-ol 3-[1-[1-[(2R)-2,6-dimethylhept-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) 3.53 8.4 -53.23 2 5 1 55 335.516 9 ↓

Analogs

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Popular Name: (6S)-8-[4-[4-(hydroxymethyl)triazol-1-yl]-1-piperidyl]-2,6-dimethyl-octan-2-ol (6S)-8-[4-[4-(hydroxymethyl)tria…

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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) 2.09 4.32 -50.64 3 6 1 76 339.504 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-8-[4-[4-(hydroxymethyl)triazol-1-yl]-1-piperidyl]-2,6-dimethyl-octan-2-ol (6R)-8-[4-[4-(hydroxymethyl)tria…

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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) 2.09 4.33 -50.57 3 6 1 76 339.504 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-8-[4-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperidyl]-2,6-dimethyl-octan-2-ol (6S)-8-[4-[4-(2-hydroxyethyl)tri…

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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) 2.30 5.03 -53.75 3 6 1 76 353.531 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-8-[4-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperidyl]-2,6-dimethyl-octan-2-ol (6R)-8-[4-[4-(2-hydroxyethyl)tri…

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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) 2.30 5.02 -53.49 3 6 1 76 353.531 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-3-methyl-butyl]acetamide N-[(1S)-1-[4-(4-tert-butyltriazo…

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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) 2.33 7.99 -19.42 1 7 0 80 363.506 6 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.60 6.02 -14.52 0 8 0 87 324.381 5 ↓

Analogs

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Popular Name: 5-[[1-(4-piperidyl)triazole-4-carbonyl]amino]pentanoic 5-[[1-(4-piperidyl)triazole-4-ca…

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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) -0.60 3.03 -88.25 3 8 0 117 295.343 7 ↓
Lo Low (pH 4.5-6) -0.60 1.05 -57.89 4 8 1 114 296.351 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[2-(methylamino)ethyl]-1-(4-piperidyl)triazole-4-carboxamide N-methyl-N-[2-(methylamino)ethyl…

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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) -0.86 2.41 -96.38 4 7 2 84 268.365 5 ↓
Hi High (pH 8-9.5) -0.86 0.97 -53.06 3 7 1 80 267.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[[1-(4-piperidyl)triazole-4-carbonyl]amino]pentanoic (4S)-4-[[1-(4-piperidyl)triazole…

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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) -0.77 3.24 -86.27 3 8 0 117 295.343 6 ↓
Lo Low (pH 4.5-6) -0.77 1.26 -56.07 4 8 1 114 296.351 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[[1-(4-piperidyl)triazole-4-carbonyl]amino]pentanoic (4R)-4-[[1-(4-piperidyl)triazole…

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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) -0.77 3.24 -85.97 3 8 0 117 295.343 6 ↓
Lo Low (pH 4.5-6) -0.77 1.26 -56.13 4 8 1 114 296.351 6 ↓

Parameters Provided:

ring.id = 47950
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 = 47950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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