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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: (2R)-N-isopropyl-N-methyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide (2R)-N-isopropyl-N-methyl-2-(thi…

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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) 0.52 4.98 -20.78 0 6 0 61 335.495 4 ↓

Analogs

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Popular Name: [(2R)-2-methylthiomorpholin-4-yl]-[(2R)-1-propylsulfonylpyrrolidin-2-yl]methanone [(2R)-2-methylthiomorpholin-4-yl…

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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) 1.09 5.67 -22.23 0 5 0 58 320.48 4 ↓

Analogs

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Popular Name: [(2R)-2-methylthiomorpholin-4-yl]-[(2S)-1-propylsulfonylpyrrolidin-2-yl]methanone [(2R)-2-methylthiomorpholin-4-yl…

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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) 1.09 5.57 -21.84 0 5 0 58 320.48 4 ↓

Analogs

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Popular Name: (2R)-N,N-dimethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide (2R)-N,N-dimethyl-2-(thiomorphol…

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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) -0.15 3.6 -20.48 0 6 0 61 307.441 3 ↓

Analogs

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Popular Name: (2S)-N,N-dimethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide (2S)-N,N-dimethyl-2-(thiomorphol…

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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) -0.15 3.47 -20.07 0 6 0 61 307.441 3 ↓

Analogs

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Popular Name: (2R)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide (2R)-N,N-diethyl-2-(thiomorpholi…

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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 5.24 -20.82 0 6 0 61 335.495 5 ↓

Analogs

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Popular Name: (2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide (2S)-N,N-diethyl-2-(thiomorpholi…

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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 5.08 -20.1 0 6 0 61 335.495 5 ↓

Analogs

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Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(3R)-3-methylthiomorpholin-4-yl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-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 0.86 -44.08 3 4 1 57 231.341 1 ↓
Hi High (pH 8-9.5) -0.36 -0.34 -11.05 2 4 0 53 230.333 1 ↓

Analogs

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Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(3S)-3-methylthiomorpholin-4-yl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-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 0.86 -43.68 3 4 1 57 231.341 1 ↓
Hi High (pH 8-9.5) -0.36 -0.33 -10.85 2 4 0 53 230.333 1 ↓

Analogs

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Popular Name: [(2R,4S)-4-hydroxypyrrolidin-2-yl]-[(3R)-3-methylthiomorpholin-4-yl]methanone [(2R,4S)-4-hydroxypyrrolidin-2-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 0.91 -41.19 3 4 1 57 231.341 1 ↓
Hi High (pH 8-9.5) -0.36 -0.48 -6.44 2 4 0 53 230.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-4-hydroxypyrrolidin-2-yl]-[(3S)-3-methylthiomorpholin-4-yl]methanone [(2R,4S)-4-hydroxypyrrolidin-2-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 0.95 -41.35 3 4 1 57 231.341 1 ↓
Hi High (pH 8-9.5) -0.36 -0.43 -6.37 2 4 0 53 230.333 1 ↓

Analogs

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Popular Name: [(3R)-3-methylthiomorpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone [(3R)-3-methylthiomorpholin-4-yl…

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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 4.15 -39.26 2 3 1 37 215.342 1 ↓
Hi High (pH 8-9.5) 0.56 3.07 -8.41 1 3 0 32 214.334 1 ↓

Analogs

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Popular Name: [(3S)-3-methylthiomorpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone [(3S)-3-methylthiomorpholin-4-yl…

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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 4.24 -39.09 2 3 1 37 215.342 1 ↓
Hi High (pH 8-9.5) 0.56 3.07 -8.24 1 3 0 32 214.334 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methylthiomorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone [(3R)-3-methylthiomorpholin-4-yl…

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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 4.32 -39.21 2 3 1 37 215.342 1 ↓
Hi High (pH 8-9.5) 0.56 2.98 -5.95 1 3 0 32 214.334 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methylthiomorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone [(3S)-3-methylthiomorpholin-4-yl…

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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 4.18 -38.98 2 3 1 37 215.342 1 ↓
Hi High (pH 8-9.5) 0.56 2.98 -5.82 1 3 0 32 214.334 1 ↓

Analogs

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Popular Name: [(2S,4S)-4-methoxypyrrolidin-2-yl]-[(3R)-3-methylthiomorpholin-4-yl]methanone [(2S,4S)-4-methoxypyrrolidin-2-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) 0.26 3.23 -43.01 2 4 1 46 245.368 2 ↓
Mid Mid (pH 6-8) 0.26 2.03 -10.5 1 4 0 42 244.36 2 ↓

Analogs

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Popular Name: [(2S,4S)-4-methoxypyrrolidin-2-yl]-[(3S)-3-methylthiomorpholin-4-yl]methanone [(2S,4S)-4-methoxypyrrolidin-2-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) 0.26 3.23 -42.51 2 4 1 46 245.368 2 ↓
Mid Mid (pH 6-8) 0.26 2.04 -10.2 1 4 0 42 244.36 2 ↓

Analogs

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Popular Name: [(2R,4S)-4-methoxypyrrolidin-2-yl]-[(3R)-3-methylthiomorpholin-4-yl]methanone [(2R,4S)-4-methoxypyrrolidin-2-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) 0.26 3.28 -39.79 2 4 1 46 245.368 2 ↓
Mid Mid (pH 6-8) 0.26 1.89 -5.64 1 4 0 42 244.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-4-methoxypyrrolidin-2-yl]-[(3S)-3-methylthiomorpholin-4-yl]methanone [(2R,4S)-4-methoxypyrrolidin-2-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) 0.26 3.32 -39.87 2 4 1 46 245.368 2 ↓
Mid Mid (pH 6-8) 0.26 1.94 -5.5 1 4 0 42 244.36 2 ↓

Analogs

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Popular Name: N-(butylcarbamoyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide N-(butylcarbamoyl)-2-[(2S)-2-(th…

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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) 1.17 6.49 -58.21 3 7 1 83 357.5 6 ↓
Mid Mid (pH 6-8) 1.17 4.68 -29.45 2 7 0 82 356.492 6 ↓

Analogs

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Popular Name: N,N-dipropyl-2-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide N,N-dipropyl-2-[(2R)-2-(thiomorp…

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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) 1.58 9.58 -42.65 1 5 1 45 342.529 7 ↓
Hi High (pH 8-9.5) 1.58 7.56 -16.7 0 5 0 44 341.521 7 ↓

Analogs

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Popular Name: N,N-dipropyl-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide N,N-dipropyl-2-[(2S)-2-(thiomorp…

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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) 1.58 9.18 -35.16 1 5 1 45 342.529 7 ↓
Hi High (pH 8-9.5) 1.58 7.05 -9.87 0 5 0 44 341.521 7 ↓

Analogs

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Popular Name: 4-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]butanenitrile 4-[(2R)-2-(thiomorpholine-4-carb…

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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) 0.20 7.42 -48.33 1 4 1 49 268.406 4 ↓
Hi High (pH 8-9.5) 0.20 5.19 -9.66 0 4 0 47 267.398 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]butanenitrile 4-[(2S)-2-(thiomorpholine-4-carb…

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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) 0.20 7.76 -50.77 1 4 1 49 268.406 4 ↓
Hi High (pH 8-9.5) 0.20 5.73 -15.41 0 4 0 47 267.398 4 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone [(2S,6R)-2,6-dimethylthiomorphol…

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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) 0.95 4.88 -40.07 2 3 1 37 229.369 1 ↓
Hi High (pH 8-9.5) 0.95 3.81 -9.55 1 3 0 32 228.361 1 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone [(2S,6S)-2,6-dimethylthiomorphol…

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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) 0.95 5.22 -40.02 2 3 1 37 229.369 1 ↓
Hi High (pH 8-9.5) 0.95 4.15 -8.96 1 3 0 32 228.361 1 ↓

Analogs

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Popular Name: [(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone [(2R,6R)-2,6-dimethylthiomorphol…

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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) 0.95 5.34 -40.14 2 3 1 37 229.369 1 ↓
Hi High (pH 8-9.5) 0.95 4.14 -8.84 1 3 0 32 228.361 1 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2S,6R)-2,6-dimethylthiomorphol…

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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) 0.04 1.61 -45.18 3 4 1 57 245.368 1 ↓
Hi High (pH 8-9.5) 0.04 0.41 -12.32 2 4 0 53 244.36 1 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2S,6S)-2,6-dimethylthiomorphol…

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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) 0.04 1.95 -44.83 3 4 1 57 245.368 1 ↓
Hi High (pH 8-9.5) 0.04 0.74 -11.69 2 4 0 53 244.36 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylthiomorpholin-4-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2R,6R)-2,6-dimethylthiomorphol…

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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) 0.04 1.94 -44.63 3 4 1 57 245.368 1 ↓
Hi High (pH 8-9.5) 0.04 0.75 -11.45 2 4 0 53 244.36 1 ↓

Parameters Provided:

ring.id = 254492
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 254492 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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