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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: 3-[(2R)-2-methyl-1-piperidyl]-N-(thiazol-5-ylmethyl)propan-1-amine 3-[(2R)-2-methyl-1-piperidyl]-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) 2.21 5.62 -34.73 2 3 1 29 254.423 6 ↓
Lo Low (pH 4.5-6) 2.21 6.98 -108.6 3 3 2 34 255.431 6 ↓

Analogs

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Popular Name: 3-[(2S)-2-methyl-1-piperidyl]-N-(thiazol-5-ylmethyl)propan-1-amine 3-[(2S)-2-methyl-1-piperidyl]-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) 2.21 5.62 -34.86 2 3 1 29 254.423 6 ↓
Lo Low (pH 4.5-6) 2.21 6.98 -108.65 3 3 2 34 255.431 6 ↓

Analogs

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Popular Name: 3-(1-piperidyl)-N-(thiazol-5-ylmethyl)propan-1-amine 3-(1-piperidyl)-N-(thiazol-5-ylm…

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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) 1.87 5.14 -36.3 2 3 1 29 240.396 6 ↓
Lo Low (pH 4.5-6) 1.87 6.49 -109.54 3 3 2 34 241.404 6 ↓

Analogs

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Popular Name: 3-(4-methyl-1-piperidyl)-N-(thiazol-5-ylmethyl)propan-1-amine 3-(4-methyl-1-piperidyl)-N-(thia…

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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) 2.12 5.75 -37.31 2 3 1 29 254.423 6 ↓
Lo Low (pH 4.5-6) 2.12 7.11 -111.1 3 3 2 34 255.431 6 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-(1-piperidyl)-N-(thiazol-5-ylmethyl)propan-1-amine (2S)-2-methyl-3-(1-piperidyl)-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) 2.35 6.03 -36.3 2 3 1 29 254.423 6 ↓
Lo Low (pH 4.5-6) 2.35 7.22 -107.84 3 3 2 34 255.431 6 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-(1-piperidyl)-N-(thiazol-5-ylmethyl)propan-1-amine (2R)-2-methyl-3-(1-piperidyl)-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) 2.35 5.83 -35.78 2 3 1 29 254.423 6 ↓
Lo Low (pH 4.5-6) 2.35 7.21 -107.82 3 3 2 34 255.431 6 ↓

Analogs

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Popular Name: 3-[(2S)-2-methyl-1-piperidyl]-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]propan-1-amine 3-[(2S)-2-methyl-1-piperidyl]-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) 2.99 6.78 -36.14 2 3 1 29 282.477 6 ↓
Mid Mid (pH 6-8) 2.99 7.97 -109.14 3 3 2 34 283.485 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-methyl-1-piperidyl]-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]propan-1-amine 3-[(2S)-2-methyl-1-piperidyl]-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) 2.99 6.77 -35.13 2 3 1 29 282.477 6 ↓
Mid Mid (pH 6-8) 2.99 7.98 -108.84 3 3 2 34 283.485 6 ↓

Analogs

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Popular Name: N,N-diethyl-5-[[3-(1-piperidyl)propylamino]methyl]thiazol-2-amine N,N-diethyl-5-[[3-(1-piperidyl)p…

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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) 2.85 8.77 -36.34 2 4 1 33 311.519 9 ↓
Mid Mid (pH 6-8) 2.85 10.13 -107.12 3 4 2 37 312.527 9 ↓
Lo Low (pH 4.5-6) 2.85 10.58 -178.38 4 4 3 38 313.535 9 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-3-(1-piperidyl)propan-1-amine N-[(1R)-1-(4-methylthiazol-5-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) 2.66 6.29 -37.87 2 3 1 29 268.45 6 ↓
Mid Mid (pH 6-8) 2.66 7.49 -110.11 3 3 2 34 269.458 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-3-(1-piperidyl)propan-1-amine N-[(1S)-1-(4-methylthiazol-5-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) 2.66 6.29 -36.78 2 3 1 29 268.45 6 ↓
Mid Mid (pH 6-8) 2.66 7.5 -109.73 3 3 2 34 269.458 6 ↓

Analogs

44516858
44516858
44517851
44517851
44517852
44517852

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Popular Name: 3-(4-methyl-1-piperidyl)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]propan-1-amine 3-(4-methyl-1-piperidyl)-N-[(1R)…

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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) 2.90 6.91 -38.74 2 3 1 29 282.477 6 ↓
Mid Mid (pH 6-8) 2.90 8.1 -111.68 3 3 2 34 283.485 6 ↓

Analogs

44516858
44516858
44517851
44517851
44517852
44517852

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methyl-1-piperidyl)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]propan-1-amine 3-(4-methyl-1-piperidyl)-N-[(1S)…

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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) 2.90 6.9 -37.61 2 3 1 29 282.477 6 ↓
Mid Mid (pH 6-8) 2.90 8.11 -111.31 3 3 2 34 283.485 6 ↓

Parameters Provided:

ring.id = 153549
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 = 153549 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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