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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-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[2-[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) 4.66 11.17 -14.93 1 6 0 66 476.989 4 ↓

Analogs

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Popular Name: N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[2-[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) 4.81 12.69 -13.26 1 6 0 66 470.598 4 ↓
Mid Mid (pH 6-8) 4.81 12.62 -44.43 2 6 1 67 471.606 4 ↓

Analogs

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Popular Name: N-[2-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[2-[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) 5.06 12.66 -12.92 1 6 0 66 491.016 4 ↓
Lo Low (pH 4.5-6) 5.06 12.57 -47.75 2 6 1 67 492.024 4 ↓

Analogs

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Popular Name: N-[2-[(3S)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[2-[(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) 4.76 11.99 -13.4 1 6 0 66 470.598 4 ↓

Analogs

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Popular Name: N-[2-[(3R)-3-methyl-4-(m-tolyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[2-[(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) 4.76 12.2 -13.95 1 6 0 66 470.598 4 ↓

Analogs

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Popular Name: N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[2-[4-(4-fluorophenyl)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) 4.17 10.73 -15.35 1 6 0 66 460.534 4 ↓

Analogs

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

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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) 4.07 9.96 -16.05 1 7 0 75 472.57 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[2-[4-(2-fluorophenyl)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) 4.12 11.18 -14.32 1 6 0 66 460.534 4 ↓

Parameters Provided:

ring.id = 371677
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 = 371677 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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