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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-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[3-[4-(2,3-dimethylphenyl)pipe…

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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) 4.83 12.45 -15.99 1 6 0 66 470.598 4 ↓
Mid Mid (pH 6-8) 4.83 12.27 -46.64 2 6 1 67 471.606 4 ↓

Analogs

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Popular Name: N-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[3-[4-(2,5-dimethylphenyl)pipe…

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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) 4.86 12.57 -15.88 1 6 0 66 470.598 4 ↓
Mid Mid (pH 6-8) 4.86 12.4 -46.33 2 6 1 67 471.606 4 ↓

Analogs

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Popular Name: N-[3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[3-[4-(5-chloro-2-methyl-pheny…

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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) 5.09 12.42 -15.53 1 6 0 66 491.016 4 ↓
Lo Low (pH 4.5-6) 5.09 12.22 -50.24 2 6 1 67 492.024 4 ↓

Analogs

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Popular Name: N-[3-[(3S)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[3-[(3S)-3-methyl-4-(m-tolyl)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) 4.79 11.69 -16.64 1 6 0 66 470.598 4 ↓

Analogs

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Popular Name: N-[3-[(3R)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[3-[(3R)-3-methyl-4-(m-tolyl)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) 4.79 11.95 -16.48 1 6 0 66 470.598 4 ↓

Analogs

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Popular Name: N-[5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[4-(4-chlorophenyl)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) 5.11 11.78 -17.55 1 6 0 66 491.016 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[4-(3-chlorophenyl)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) 5.09 11.77 -18.11 1 6 0 66 491.016 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[4-(2,3-dimethylphenyl)pipe…

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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) 5.23 13.33 -15.91 1 6 0 66 484.625 4 ↓
Mid Mid (pH 6-8) 5.23 13.15 -46.39 2 6 1 67 485.633 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide N-[5-[4-(2,5-dimethylphenyl)pipe…

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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) 5.26 13.46 -15.81 1 6 0 66 484.625 4 ↓
Mid Mid (pH 6-8) 5.26 13.28 -46.2 2 6 1 67 485.633 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-methyl-5-[(3S)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamid N-[2-methyl-5-[(3S)-3-methyl-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) 5.19 12.55 -16.44 1 6 0 66 484.625 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-methyl-5-[(3R)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamid N-[2-methyl-5-[(3R)-3-methyl-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) 5.19 12.78 -16.62 1 6 0 66 484.625 4 ↓

Parameters Provided:

ring.id = 371640
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 = 371640 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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