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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: (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine (2S)-2-[(3,5-dimethylpyrazol-1-y…

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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 4.02 -12.69 0 5 0 40 321.343 7 ↓
Lo Low (pH 4.5-6) 1.60 6.35 -48.65 1 5 1 41 322.351 7 ↓

Analogs

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Popular Name: (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine (2R)-2-[(3,5-dimethylpyrazol-1-y…

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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 4.03 -11.21 0 5 0 40 321.343 7 ↓
Lo Low (pH 4.5-6) 1.60 6.41 -46.44 1 5 1 41 322.351 7 ↓

Analogs

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Popular Name: (2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(3-methylsulfonylpropyl)morpholine (2S)-2-[(3,5-dimethylpyrazol-1-y…

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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) 0.36 1.77 -20.62 0 6 0 64 315.439 6 ↓
Lo Low (pH 4.5-6) 0.36 4.04 -60.51 1 6 1 66 316.447 6 ↓

Analogs

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Popular Name: (2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(3-methylsulfonylpropyl)morpholine (2R)-2-[(3,5-dimethylpyrazol-1-y…

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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) 0.36 1.84 -18.62 0 6 0 64 315.439 6 ↓
Lo Low (pH 4.5-6) 0.36 4.11 -56.9 1 6 1 66 316.447 6 ↓

Analogs

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Popular Name: (2S)-4-(3-methylsulfonylpropyl)-2-(pyrazol-1-ylmethyl)morpholine (2S)-4-(3-methylsulfonylpropyl)-…

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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) -0.08 0.92 -20.21 0 6 0 64 287.385 6 ↓
Lo Low (pH 4.5-6) -0.08 3.19 -58.38 1 6 1 66 288.393 6 ↓

Analogs

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Popular Name: (2R)-4-(3-methylsulfonylpropyl)-2-(pyrazol-1-ylmethyl)morpholine (2R)-4-(3-methylsulfonylpropyl)-…

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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) -0.08 0.73 -19.09 0 6 0 64 287.385 6 ↓
Lo Low (pH 4.5-6) -0.08 2.99 -56.41 1 6 1 66 288.393 6 ↓

Analogs

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Popular Name: (2S)-4-(2-methylsulfonylethyl)-2-(pyrazol-1-ylmethyl)morpholine (2S)-4-(2-methylsulfonylethyl)-2…

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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) -0.35 0.13 -18.19 0 6 0 64 273.358 5 ↓
Lo Low (pH 4.5-6) -0.35 2.41 -57.09 1 6 1 66 274.366 5 ↓

Analogs

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Popular Name: (2R)-4-(2-methylsulfonylethyl)-2-(pyrazol-1-ylmethyl)morpholine (2R)-4-(2-methylsulfonylethyl)-2…

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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) -0.35 -0.05 -17.06 0 6 0 64 273.358 5 ↓
Lo Low (pH 4.5-6) -0.35 2.24 -55.16 1 6 1 66 274.366 5 ↓

Analogs

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Popular Name: (2S)-2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)ethyl]morpholine (2S)-2-(pyrazol-1-ylmethyl)-4-[2…

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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) 3.20 0.72 -15.34 0 6 0 64 327.328 6 ↓
Lo Low (pH 4.5-6) 3.20 3 -62.04 1 6 1 66 328.336 6 ↓

Analogs

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Popular Name: (2R)-2-(pyrazol-1-ylmethyl)-4-[2-(trifluoromethylsulfonyl)ethyl]morpholine (2R)-2-(pyrazol-1-ylmethyl)-4-[2…

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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) 3.20 0.53 -14.13 0 6 0 64 327.328 6 ↓
Lo Low (pH 4.5-6) 3.20 2.81 -60.01 1 6 1 66 328.336 6 ↓

Analogs

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Popular Name: (2R)-2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]pentanedinitrile (2R)-2-[[(2S)-2-[(3,5-dimethylpy…

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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) 0.58 5.8 -20.68 0 6 0 78 301.394 6 ↓
Lo Low (pH 4.5-6) 0.58 7.9 -67.46 1 6 1 79 302.402 6 ↓

Analogs

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Popular Name: (2R)-2-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]pentanedinitrile (2R)-2-[[(2R)-2-[(3,5-dimethylpy…

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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) 0.58 5.94 -20.34 0 6 0 78 301.394 6 ↓
Lo Low (pH 4.5-6) 0.58 7.97 -66.49 1 6 1 79 302.402 6 ↓

Analogs

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Popular Name: (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)ethyl]morpholine (2S)-2-[(4-methylpyrazol-1-yl)me…

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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) 3.58 1.39 -15.1 0 6 0 64 341.355 6 ↓
Lo Low (pH 4.5-6) 3.58 3.67 -61.79 1 6 1 66 342.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)ethyl]morpholine (2R)-2-[(4-methylpyrazol-1-yl)me…

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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) 3.58 1.21 -13.99 0 6 0 64 341.355 6 ↓
Lo Low (pH 4.5-6) 3.58 3.49 -59.86 1 6 1 66 342.363 6 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide N,N-dimethyl-3-[(2S)-2-[(4-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) 0.30 2.09 -17.49 0 7 0 68 330.454 7 ↓
Lo Low (pH 4.5-6) 0.30 4.37 -57.22 1 7 1 69 331.462 7 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide N,N-dimethyl-3-[(2R)-2-[(4-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) 0.30 1.91 -16.39 0 7 0 68 330.454 7 ↓
Lo Low (pH 4.5-6) 0.30 4.19 -55.33 1 7 1 69 331.462 7 ↓

Analogs

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Popular Name: (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(3-methylsulfonylpropyl)morpholine (2S)-2-[(4-methylpyrazol-1-yl)me…

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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) 0.30 1.59 -19.99 0 6 0 64 301.412 6 ↓
Lo Low (pH 4.5-6) 0.30 3.86 -58.15 1 6 1 66 302.42 6 ↓

Analogs

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Popular Name: (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(3-methylsulfonylpropyl)morpholine (2R)-2-[(4-methylpyrazol-1-yl)me…

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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) 0.30 1.4 -18.91 0 6 0 64 301.412 6 ↓
Lo Low (pH 4.5-6) 0.30 3.67 -56.21 1 6 1 66 302.42 6 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide N-(2-acetamidoethyl)-2-[(2S)-2-(…

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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) -1.00 -0.42 -20.11 2 8 0 88 309.37 7 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide N-(2-acetamidoethyl)-2-[(2R)-2-(…

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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) -1.00 -0.61 -19.01 2 8 0 88 309.37 7 ↓

Analogs

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Popular Name: 3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide 3-[(2S)-2-[(3,5-dimethylpyrazol-…

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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) -0.25 -0.79 -20.27 2 7 0 90 316.427 6 ↓
Lo Low (pH 4.5-6) -0.25 1.48 -62.49 3 7 1 92 317.435 6 ↓

Analogs

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Popular Name: 3-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]propane-1-sulfonamide 3-[(2R)-2-[(3,5-dimethylpyrazol-…

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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) -0.25 -0.72 -18.2 2 7 0 90 316.427 6 ↓
Lo Low (pH 4.5-6) -0.25 1.54 -58.82 3 7 1 92 317.435 6 ↓

Analogs

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Popular Name: (2R)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]pentanedinitrile (2R)-2-[[(2S)-2-[(4-methylpyrazo…

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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) 0.51 5.62 -20.16 0 6 0 78 287.367 6 ↓
Lo Low (pH 4.5-6) 0.51 7.71 -65.54 1 6 1 79 288.375 6 ↓

Analogs

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Popular Name: (2R)-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]pentanedinitrile (2R)-2-[[(2R)-2-[(4-methylpyrazo…

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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) 0.51 5.51 -20.68 0 6 0 78 287.367 6 ↓
Lo Low (pH 4.5-6) 0.51 7.53 -65.75 1 6 1 79 288.375 6 ↓

Parameters Provided:

ring.id = 333334
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 = 333334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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