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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-pyrrolidin-1-yl-N-(thiazol-5-ylmethyl)ethanamine 2-pyrrolidin-1-yl-N-(thiazol-5-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) 1.10 3.66 -36.42 2 3 1 29 212.342 5 ↓
Hi High (pH 8-9.5) 1.10 1.21 -4.04 1 3 0 28 211.334 5 ↓
Lo Low (pH 4.5-6) 1.10 5.02 -118.28 3 3 2 34 213.35 5 ↓

Analogs

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Popular Name: (2S)-3-methyl-2-pyrrolidin-1-yl-N-(thiazol-5-ylmethyl)butan-1-amine (2S)-3-methyl-2-pyrrolidin-1-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) 2.21 6.84 -35.95 2 3 1 29 254.423 6 ↓
Lo Low (pH 4.5-6) 2.21 7.01 -118.26 3 3 2 34 255.431 6 ↓

Analogs

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Popular Name: (2R)-3-methyl-2-pyrrolidin-1-yl-N-(thiazol-5-ylmethyl)butan-1-amine (2R)-3-methyl-2-pyrrolidin-1-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) 2.21 6.71 -32.04 2 3 1 29 254.423 6 ↓
Lo Low (pH 4.5-6) 2.21 6.99 -117.55 3 3 2 34 255.431 6 ↓

Analogs

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Popular Name: (2S)-1-pyrrolidin-1-yl-N-(thiazol-5-ylmethyl)propan-2-amine (2S)-1-pyrrolidin-1-yl-N-(thiazo…

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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 4.59 -37.08 2 3 1 29 226.369 5 ↓
Hi High (pH 8-9.5) 1.43 2.7 -3.66 1 3 0 28 225.361 5 ↓
Lo Low (pH 4.5-6) 1.43 5.87 -116.67 3 3 2 34 227.377 5 ↓

Analogs

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Popular Name: (2R)-1-pyrrolidin-1-yl-N-(thiazol-5-ylmethyl)propan-2-amine (2R)-1-pyrrolidin-1-yl-N-(thiazo…

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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 5.81 -34.02 2 3 1 29 226.369 5 ↓
Hi High (pH 8-9.5) 1.43 3.21 -3.61 1 3 0 28 225.361 5 ↓
Lo Low (pH 4.5-6) 1.43 5.55 -114.35 3 3 2 34 227.377 5 ↓

Analogs

37782513
37782513
37782514
37782514
44686261
44686261
44686263
44686263
45692569
45692569

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-5-[(2-pyrrolidin-1-ylethylamino)methyl]thiazol-2-amine N,N-diethyl-5-[(2-pyrrolidin-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) 2.08 7.29 -36.17 2 4 1 33 283.465 8 ↓
Hi High (pH 8-9.5) 2.08 4.84 -5.17 1 4 0 31 282.457 8 ↓
Lo Low (pH 4.5-6) 2.08 7.75 -73.76 3 4 2 34 284.473 8 ↓

Analogs

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Popular Name: (1R)-1-(4-methylthiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (1R)-1-(4-methylthiazol-5-yl)-N-…

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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) 1.88 4.83 -38.35 2 3 1 29 240.396 5 ↓
Hi High (pH 8-9.5) 1.88 2.37 -4.65 1 3 0 28 239.388 5 ↓
Lo Low (pH 4.5-6) 1.88 6 -118.68 3 3 2 34 241.404 5 ↓

Analogs

44687300
44687300
44687302
44687302
44687305
44687305
44687307
44687307

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-methylthiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (1S)-1-(4-methylthiazol-5-yl)-N-…

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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) 1.88 4.77 -37.2 2 3 1 29 240.396 5 ↓
Hi High (pH 8-9.5) 1.88 2.41 -3.93 1 3 0 28 239.388 5 ↓
Lo Low (pH 4.5-6) 1.88 5.98 -118.3 3 3 2 34 241.404 5 ↓

Analogs

44687338
44687338
44687340
44687340
44687343
44687343
44687346
44687346

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (1R)-1-(2-tert-butyl-4-methyl-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) 3.32 7.43 -38.02 2 3 1 29 296.504 6 ↓
Hi High (pH 8-9.5) 3.32 4.96 -4.67 1 3 0 28 295.496 6 ↓
Lo Low (pH 4.5-6) 3.32 8.6 -118.82 3 3 2 34 297.512 6 ↓

Analogs

44687338
44687338
44687340
44687340
44687343
44687343
44687346
44687346
45693316
45693316

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (1S)-1-(2-tert-butyl-4-methyl-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) 3.32 7.36 -36.76 2 3 1 29 296.504 6 ↓
Hi High (pH 8-9.5) 3.32 5.01 -3.88 1 3 0 28 295.496 6 ↓
Lo Low (pH 4.5-6) 3.32 8.58 -118.41 3 3 2 34 297.512 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-2-pyrrolidin-1-yl-butan-1-amine (2R)-3-methyl-N-[(1R)-1-(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) 2.99 7.44 -35.15 2 3 1 29 282.477 6 ↓
Lo Low (pH 4.5-6) 2.99 7.98 -116.76 3 3 2 34 283.485 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-2-pyrrolidin-1-yl-butan-1-amine (2R)-3-methyl-N-[(1S)-1-(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) 2.99 7.43 -33.22 2 3 1 29 282.477 6 ↓
Lo Low (pH 4.5-6) 2.99 8 -116.14 3 3 2 34 283.485 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-2-pyrrolidin-1-yl-butan-1-amine (2S)-3-methyl-N-[(1R)-1-(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) 2.99 7.79 -34.12 2 3 1 29 282.477 6 ↓
Lo Low (pH 4.5-6) 2.99 8.08 -116.25 3 3 2 34 283.485 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-2-pyrrolidin-1-yl-butan-1-amine (2S)-3-methyl-N-[(1S)-1-(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) 2.99 7.76 -33.97 2 3 1 29 282.477 6 ↓
Lo Low (pH 4.5-6) 2.99 8.11 -116.12 3 3 2 34 283.485 6 ↓

Parameters Provided:

ring.id = 153584
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 = 153584 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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