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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

31959415
31959415

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide 2-(4-methylpiperazin-1-yl)-N-(4,…

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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) 1.70 5.6 -42.7 2 5 1 50 295.432 3 ↓
Mid Mid (pH 6-8) 1.52 4.78 -36.4 1 5 0 56 294.424 3 ↓
Mid Mid (pH 6-8) 2.26 4.36 -30.24 2 5 1 53 295.432 2 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]ace 2-[4-(2,2-difluoroethyl)piperazi…

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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) 3.25 5.64 -16.34 1 5 0 48 372.485 6 ↓
Lo Low (pH 4.5-6) 3.25 7.77 -42.59 2 5 1 50 373.493 6 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(6S)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]ace 2-[4-(2,2-difluoroethyl)piperazi…

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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) 3.25 5.65 -16.34 1 5 0 48 372.485 6 ↓
Lo Low (pH 4.5-6) 3.25 7.77 -42.62 2 5 1 50 373.493 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide 2-piperazin-1-yl-N-(4,5,6,7-tetr…

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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 3.07 -45.21 3 5 1 62 281.405 3 ↓
Hi High (pH 8-9.5) 1.66 1.24 -8.36 2 5 0 60 280.397 2 ↓

Analogs

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Popular Name: (2S)-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (2S)-2-piperazin-1-yl-N-(4,5,6,7…

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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 3.78 -46.44 3 5 1 62 295.432 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (2R)-2-piperazin-1-yl-N-(4,5,6,7…

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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 3.72 -46.6 3 5 1 62 295.432 3 ↓

Parameters Provided:

ring.id = 132695
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 = 132695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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