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

5780541
5780541
22817082
22817082
22817088
22817088
22817094
22817094
22817100
22817100

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-cyclopropyl-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 3.58 -3.1 -7.59 1 3 0 41 312.847 4 ↓

Analogs

22817082
22817082
22817088
22817088
22817094
22817094
22817100
22817100
5780540
5780540

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-cyclopropyl-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 3.58 -3.1 -7.6 1 3 0 41 312.847 4 ↓

Analogs

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Popular Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide 2-(1,3-benzothiazol-2-ylsulfanyl…

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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) 2.18 4.87 -12.22 1 4 0 53 308.428 6 ↓

Analogs

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Popular Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclopropyl-N-ethyl-acetamide 2-[(6-amino-1,3-benzothiazol-2-y…

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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) 2.24 5.64 -11.22 2 4 0 59 307.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclopropyl-N-methyl-acetamide 2-[(6-amino-1,3-benzothiazol-2-y…

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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) 1.86 4.93 -11.69 2 4 0 59 293.417 4 ↓

Analogs

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Popular Name: (2S)-2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclopropyl-propanamide (2S)-2-[(6-amino-1,3-benzothiazo…

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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) 1.98 4 -10.75 3 4 0 68 293.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclopropyl-propanamide (2R)-2-[(6-amino-1,3-benzothiazo…

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Activity (Go SEA)

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) 1.98 4 -10.72 3 4 0 68 293.417 4 ↓

Parameters Provided:

ring.id = 2759
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 = 2759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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