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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-[1-[(2-methoxyacetyl)amino]cyclobutyl]-1H-imidazole-4-carboxylic 2-[1-[(2-methoxyacetyl)amino]cyc…

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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) -0.37 2.72 -73.59 2 7 -1 107 252.25 5 ↓
Lo Low (pH 4.5-6) -0.37 3.08 -38.93 3 7 0 108 253.258 5 ↓

Analogs

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Popular Name: 3-methoxypropyl 3-methoxypropyl

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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) 0.47 2.56 -54.45 4 6 1 92 254.31 7 ↓
Hi High (pH 8-9.5) 0.47 2.27 -9.78 3 6 0 90 253.302 7 ↓

Analogs

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Popular Name: [(1R)-1,3-dimethylbutyl] [(1R)-1,3-dimethylbutyl]

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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) 2.23 5.47 -53.03 4 5 1 83 266.365 6 ↓
Hi High (pH 8-9.5) 2.23 5.17 -8.8 3 5 0 81 265.357 6 ↓

Analogs

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Popular Name: [(1S)-1,3-dimethylbutyl] [(1S)-1,3-dimethylbutyl]

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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) 2.23 5.45 -53 4 5 1 83 266.365 6 ↓
Hi High (pH 8-9.5) 2.23 5.16 -8.81 3 5 0 81 265.357 6 ↓

Analogs

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Popular Name: 2-ethoxyethyl 2-ethoxyethyl

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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) 0.39 2.89 -54.76 4 6 1 92 254.31 7 ↓
Hi High (pH 8-9.5) 0.39 2.58 -10.84 3 6 0 90 253.302 7 ↓

Analogs

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Popular Name: 2-[1-(3-propoxypropanoylamino)cyclobutyl]-1H-imidazole-4-carboxylic 2-[1-(3-propoxypropanoylamino)cy…

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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) 0.78 4.26 -68.18 2 7 -1 107 294.331 8 ↓
Lo Low (pH 4.5-6) 0.78 4.61 -36.54 3 7 0 108 295.339 8 ↓

Analogs

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Popular Name: 2-[1-(2-methylsulfanylethylcarbamoylamino)cyclobutyl]-1H-imidazole-4-carboxylic 2-[1-(2-methylsulfanylethylcarba…

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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) 0.50 3.24 -72.52 3 7 -1 110 297.36 6 ↓
Lo Low (pH 4.5-6) 0.50 3.59 -38.45 4 7 0 111 298.368 6 ↓

Analogs

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Popular Name: 2-[1-(3-methylsulfanylpropylcarbamoylamino)cyclobutyl]-1H-imidazole-4-carboxylic 2-[1-(3-methylsulfanylpropylcarb…

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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) 0.78 4.01 -69.64 3 7 -1 110 311.387 7 ↓
Lo Low (pH 4.5-6) 0.78 4.37 -37.44 4 7 0 111 312.395 7 ↓

Analogs

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Popular Name: 2-CYCLOBUTYL-1H-IMIDAZOLE 2-CYCLOBUTYL-1H-IMIDAZOLE

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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) 0.68 4.44 -27.62 2 2 1 30 123.179 1 ↓
Mid Mid (pH 6-8) 0.68 4.01 -6.19 1 2 0 29 122.171 1 ↓

Analogs

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Popular Name: 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]-1H-imidazole-4-carboxylic 2-[1-(2,2,2-trifluoroethylcarbam…

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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) 0.91 2.4 -62.05 3 7 -1 110 305.236 5 ↓
Lo Low (pH 4.5-6) 0.91 2.72 -38.16 4 7 0 111 306.244 5 ↓

Analogs

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Popular Name: 2-[1-[[2-cyanoethyl(methyl)carbamoyl]amino]cyclobutyl]-1H-imidazole-4-carboxylic 2-[1-[[2-cyanoethyl(methyl)carba…

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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) 0.23 4.88 -74.56 2 8 -1 125 290.303 5 ↓
Lo Low (pH 4.5-6) 0.23 5.24 -41.51 3 8 0 126 291.311 5 ↓

Analogs

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Popular Name: 2-[1-[[(1R)-1,2-dimethylpropyl]carbamoylamino]cyclobutyl]-1H-imidazole-4-carboxylic 2-[1-[[(1R)-1,2-dimethylpropyl]c…

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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) 1.43 3.92 -70.69 3 7 -1 110 293.347 5 ↓
Lo Low (pH 4.5-6) 1.43 4.62 -35.95 4 7 0 111 294.355 5 ↓

Analogs

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Popular Name: 2-[1-[[(1S)-1,2-dimethylpropyl]carbamoylamino]cyclobutyl]-1H-imidazole-4-carboxylic 2-[1-[[(1S)-1,2-dimethylpropyl]c…

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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) 1.43 4.35 -70.57 3 7 -1 110 293.347 5 ↓
Lo Low (pH 4.5-6) 1.43 4.41 -36 4 7 0 111 294.355 5 ↓

Analogs

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Popular Name: [(1S)-2-methoxy-1-methyl-ethyl] [(1S)-2-methoxy-1-methyl-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) 0.56 2.7 -54.61 4 6 1 92 254.31 6 ↓
Hi High (pH 8-9.5) 0.56 2.41 -10.43 3 6 0 90 253.302 6 ↓

Analogs

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Popular Name: [(1R)-2-methoxy-1-methyl-ethyl] [(1R)-2-methoxy-1-methyl-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) 0.56 2.7 -54.3 4 6 1 92 254.31 6 ↓
Hi High (pH 8-9.5) 0.56 2.41 -10.44 3 6 0 90 253.302 6 ↓

Analogs

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Popular Name: 2-[1-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclobutyl]-1H-imidazole-4-carboxylic 2-[1-[[methyl-[2-(methylamino)et…

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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) 0.56 3.63 -87.86 4 8 0 118 295.343 6 ↓
Hi High (pH 8-9.5) 0.56 2.19 -73.38 3 8 -1 113 294.335 6 ↓
Lo Low (pH 4.5-6) 0.56 4 -72.27 5 8 1 119 296.351 6 ↓

Analogs

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Popular Name: butyl 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) 1.65 4.27 -53.44 4 5 1 83 238.311 6 ↓
Hi High (pH 8-9.5) 1.65 3.98 -8.56 3 5 0 81 237.303 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) 1.40 3.8 -52.83 4 5 1 83 238.311 4 ↓
Hi High (pH 8-9.5) 1.40 3.51 -8.57 3 5 0 81 237.303 4 ↓

Analogs

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Popular Name: 2-[1-[(2-methoxy-2-oxo-ethyl)sulfonylamino]cyclobutyl]-1H-imidazole-4-carboxylic 2-[1-[(2-methoxy-2-oxo-ethyl)sul…

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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) -0.43 0.97 -70.91 2 9 -1 141 316.315 7 ↓
Mid Mid (pH 6-8) -0.43 1.35 -55.16 3 9 0 143 317.323 7 ↓

Parameters Provided:

ring.id = 21950
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 = 21950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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