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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: 4-(chloromethyl)-2-[3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]propyl]thiazole 4-(chloromethyl)-2-[3-[4-[(1R)-1…

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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 7.56 -34.7 1 3 1 21 316.922 7 ↓
Hi High (pH 8-9.5) 2.99 7.89 -39.78 1 3 1 21 316.922 7 ↓
Hi High (pH 8-9.5) 2.99 5.64 -5.11 0 3 0 19 315.914 7 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-[3-[4-[(1S)-1-methylpropyl]piperazin-1-yl]propyl]thiazole 4-(chloromethyl)-2-[3-[4-[(1S)-1…

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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 7.57 -34.78 1 3 1 21 316.922 7 ↓
Hi High (pH 8-9.5) 2.99 7.91 -39.79 1 3 1 21 316.922 7 ↓
Hi High (pH 8-9.5) 2.99 5.65 -5.1 0 3 0 19 315.914 7 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-[3-(4-isobutylpiperazin-1-yl)propyl]thiazole 4-(chloromethyl)-2-[3-(4-isobuty…

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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) 2.91 7.9 -35.59 1 3 1 21 316.922 7 ↓
Hi High (pH 8-9.5) 2.91 5.92 -5.19 0 3 0 19 315.914 7 ↓

Analogs

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Popular Name: 2-[3-(4-tert-butylpiperazin-1-yl)propyl]-4-(chloromethyl)thiazole 2-[3-(4-tert-butylpiperazin-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) 2.97 7.2 -32.88 1 3 1 21 316.922 6 ↓
Hi High (pH 8-9.5) 2.97 5.06 -5.2 0 3 0 19 315.914 6 ↓

Analogs

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Popular Name: 1-[4-[3-[4-(chloromethyl)thiazol-2-yl]propyl]piperazin-1-yl]ethanone 1-[4-[3-[4-(chloromethyl)thiazol…

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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) 1.15 4.88 -12.7 0 4 0 36 301.843 5 ↓
Mid Mid (pH 6-8) 1.15 7.03 -50.54 1 4 1 38 302.851 5 ↓

Analogs

42778204
42778204
42778209
42778209
45703087
45703087

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Popular Name: 4-(chloromethyl)-2-[3-(4-propylpiperazin-1-yl)propyl]thiazole 4-(chloromethyl)-2-[3-(4-propylp…

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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 7.21 -35.83 1 3 1 21 302.895 7 ↓
Hi High (pH 8-9.5) 2.66 4.94 -5.45 0 3 0 19 301.887 7 ↓
Mid Mid (pH 6-8) 2.66 7.21 -39.63 1 3 1 21 302.895 7 ↓

Analogs

42778204
42778204
42778209
42778209
45703087
45703087

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Popular Name: 4-(chloromethyl)-2-[3-(4-ethylpiperazin-1-yl)propyl]thiazole 4-(chloromethyl)-2-[3-(4-ethylpi…

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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) 2.16 6.47 -35.24 1 3 1 21 288.868 6 ↓
Hi High (pH 8-9.5) 2.16 4.19 -5.55 0 3 0 19 287.86 6 ↓
Mid Mid (pH 6-8) 2.16 6.46 -39.42 1 3 1 21 288.868 6 ↓

Parameters Provided:

ring.id = 392485
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 = 392485 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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