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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: N-[[(2S)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-(2-morpholinoethyl)py…

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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) 0.42 4 -114.76 3 4 2 34 243.395 6 ↓
Hi High (pH 8-9.5) 0.42 0.49 -2.33 1 4 0 28 241.379 6 ↓
Mid Mid (pH 6-8) 0.42 2.21 -35.81 2 4 1 32 242.387 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-(2-morpholinoethyl)py…

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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) 0.42 4.05 -114.42 3 4 2 34 243.395 6 ↓
Hi High (pH 8-9.5) 0.42 0.89 -2.02 1 4 0 28 241.379 6 ↓
Mid Mid (pH 6-8) 0.42 2.23 -35.96 2 4 1 32 242.387 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-(2-morpholinoethyl)py…

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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) 0.92 4.76 -118.04 3 4 2 34 257.422 7 ↓
Mid Mid (pH 6-8) 0.92 2.96 -37.37 2 4 1 32 256.414 7 ↓
Lo Low (pH 4.5-6) 0.92 5.23 -98.91 3 4 2 34 257.422 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-(2-morpholinoethyl)py…

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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) 0.92 4.12 -114.12 3 4 2 34 257.422 7 ↓
Mid Mid (pH 6-8) 0.92 1.84 -40.62 2 4 1 32 256.414 7 ↓
Lo Low (pH 4.5-6) 0.92 4.1 -99.65 3 4 2 34 257.422 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-(2-morpholinoethyl)py…

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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) 1.07 4.54 -114.24 3 4 2 34 257.422 6 ↓
Mid Mid (pH 6-8) 1.07 2.73 -34.81 2 4 1 32 256.414 6 ↓
Lo Low (pH 4.5-6) 1.07 4.99 -96.83 3 4 2 34 257.422 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-(2-morpholinoethyl)py…

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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) 1.07 4.58 -113.49 3 4 2 34 257.422 6 ↓
Mid Mid (pH 6-8) 1.07 2.76 -34.54 2 4 1 32 256.414 6 ↓
Lo Low (pH 4.5-6) 1.07 5.03 -96.77 3 4 2 34 257.422 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2S)-1-(2-morpholin…

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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 4.31 -109.96 3 4 2 34 271.449 6 ↓
Mid Mid (pH 6-8) 1.58 1.95 -37.16 2 4 1 32 270.441 6 ↓
Lo Low (pH 4.5-6) 1.58 4.24 -95.88 3 4 2 34 271.449 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2R)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2R)-1-(2-morpholin…

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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 4.31 -109.99 3 4 2 34 271.449 6 ↓
Mid Mid (pH 6-8) 1.58 2.01 -36.93 2 4 1 32 270.441 6 ↓
Lo Low (pH 4.5-6) 1.58 4.27 -95.83 3 4 2 34 271.449 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2S)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2S)-1-(2-morpholin…

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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 5.44 -119.2 3 4 2 34 271.449 7 ↓
Mid Mid (pH 6-8) 1.17 3.65 -37.32 2 4 1 32 270.441 7 ↓
Lo Low (pH 4.5-6) 1.17 5.91 -99.4 3 4 2 34 271.449 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(2R)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2R)-1-(2-morpholin…

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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 5.49 -118.47 3 4 2 34 271.449 7 ↓
Mid Mid (pH 6-8) 1.17 3.66 -37.27 2 4 1 32 270.441 7 ↓
Lo Low (pH 4.5-6) 1.17 5.93 -99.54 3 4 2 34 271.449 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[(2S)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2S)-1-(2-morpholi…

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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) 0.03 2.52 -113.05 3 5 2 43 273.421 8 ↓
Hi High (pH 8-9.5) 0.03 -1.15 -3.41 1 5 0 37 271.405 8 ↓
Mid Mid (pH 6-8) 0.03 1.18 -35.1 2 5 1 38 272.413 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[(2R)-1-(2-morpholinoethyl)pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2R)-1-(2-morpholi…

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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) 0.03 3.18 -113.93 3 5 2 43 273.421 8 ↓
Hi High (pH 8-9.5) 0.03 0.03 -3.2 1 5 0 37 271.405 8 ↓
Mid Mid (pH 6-8) 0.03 1.84 -31.83 2 5 1 38 272.413 8 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(2-morpholinoethyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(2-morpholinoeth…

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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) 0.21 4.1 -50.26 1 5 0 57 242.319 4 ↓
Lo Low (pH 4.5-6) 0.21 6.38 -112.47 2 5 1 58 243.327 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(2-morpholinoethyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(2-morpholinoeth…

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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) 0.21 4.08 -48.11 1 5 0 57 242.319 4 ↓
Lo Low (pH 4.5-6) 0.21 6.35 -112.47 2 5 1 58 243.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(2-morpholinoethyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(2-morpholinoethy…

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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) 0.55 4.6 -43.89 1 5 0 57 256.346 5 ↓
Lo Low (pH 4.5-6) 0.55 6.87 -105.25 2 5 1 58 257.354 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(2-morpholinoethyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(2-morpholinoethy…

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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) 0.55 4.55 -48.89 1 5 0 57 256.346 5 ↓
Lo Low (pH 4.5-6) 0.55 6.82 -110.98 2 5 1 58 257.354 5 ↓

Analogs

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Popular Name: (3S)-1-(2-morpholinoethyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(2-morpholinoethyl)-3-pro…

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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) 1.10 5.37 -43.86 1 5 0 57 270.373 6 ↓
Lo Low (pH 4.5-6) 1.10 7.63 -105.14 2 5 1 58 271.381 6 ↓

Analogs

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Popular Name: (3R)-1-(2-morpholinoethyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(2-morpholinoethyl)-3-pro…

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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) 1.10 5.31 -49.02 1 5 0 57 270.373 6 ↓
Lo Low (pH 4.5-6) 1.10 7.59 -111.14 2 5 1 58 271.381 6 ↓

Analogs

44659027
44659027
45698551
45698551
37049286
37049286
37039821
37039821
37039919
37039919

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Popular Name: 4-(2-pyrrolidin-1-ylethyl)morpholine 4-(2-pyrrolidin-1-ylethyl)morpho…

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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) 0.62 3.11 -34.12 1 3 1 17 185.291 3 ↓
Hi High (pH 8-9.5) 0.62 0.66 -2.49 0 3 0 16 184.283 3 ↓
Lo Low (pH 4.5-6) 0.62 5.38 -107.7 2 3 2 18 186.299 3 ↓

Analogs

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Popular Name: [(3R)-1-[(1S)-1-methyl-2-morpholino-ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1S)-1-methyl-2-morphol…

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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) -0.14 -0.49 -45.46 3 4 1 43 228.36 4 ↓
Mid Mid (pH 6-8) -0.14 1.42 -89.37 4 4 2 45 229.368 4 ↓
Mid Mid (pH 6-8) -0.14 1.97 -105.79 4 4 2 45 229.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1R)-1-methyl-2-morphol…

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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) -0.14 -0.74 -45.03 3 4 1 43 228.36 4 ↓
Mid Mid (pH 6-8) -0.14 1.89 -88.01 4 4 2 45 229.368 4 ↓
Mid Mid (pH 6-8) -0.14 3.72 -103.24 4 4 2 45 229.368 4 ↓

Analogs

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Popular Name: N-[[(3S)-1-(2-methyl-2-morpholino-propyl)pyrrolidin-3-yl]methyl]methanesulfonamide N-[[(3S)-1-(2-methyl-2-morpholin…

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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) 0.69 2.23 -48.91 2 6 1 63 320.479 6 ↓
Hi High (pH 8-9.5) 0.69 -0.06 -10.74 1 6 0 62 319.471 6 ↓
Lo Low (pH 4.5-6) 0.69 3.15 -123.38 3 6 2 64 321.487 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(2-methyl-2-morpholino-propyl)pyrrolidin-3-yl]methyl]methanesulfonamide N-[[(3R)-1-(2-methyl-2-morpholin…

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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) 0.69 0.47 -49.3 2 6 1 63 320.479 6 ↓
Hi High (pH 8-9.5) 0.69 -1.35 -11.82 1 6 0 62 319.471 6 ↓
Lo Low (pH 4.5-6) 0.69 2.59 -119.64 3 6 2 64 321.487 6 ↓

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ring.id = 104294
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 = 104294 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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