UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39723232
39723232

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Popular Name: (NZ)-2-(4-chlorophenoxy)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide (NZ)-2-(4-chlorophenoxy)-N-(3-et…

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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) 5.41 0.51 -12.34 0 5 0 53 376.865 5 ↓

Analogs

39716963
39716963
39717038
39717038
39723232
39723232

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Popular Name: (NZ)-2-(2,4-dichlorophenoxy)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide (NZ)-2-(2,4-dichlorophenoxy)-N-(…

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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) 6.02 0.41 -13.67 0 5 0 53 411.31 5 ↓

Analogs

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Popular Name: (NZ)-2-(4-chlorophenoxy)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide (NZ)-2-(4-chlorophenoxy)-N-(4-et…

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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) 5.79 0.53 -12.02 0 5 0 53 390.892 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-(2,4-dichlorophenoxy)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide (NZ)-2-(2,4-dichlorophenoxy)-N-(…

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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) 6.40 11.45 -13.3 0 5 0 53 425.337 6 ↓

Analogs

9078761
9078761

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Popular Name: methyl methyl

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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) 5.61 10.35 -15.62 0 6 0 70 443.283 6 ↓

Analogs

9078834
9078834

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Popular Name: ethyl ethyl

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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) 5.99 11.26 -15.33 0 6 0 70 457.31 7 ↓

Analogs

12032955
12032955
39721198
39721198
8956391
8956391

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Popular Name: (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide (NZ)-N-(4-chloro-3-methyl-1,3-be…

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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) 5.66 -0.75 -11 0 4 0 44 367.257 3 ↓

Analogs

39721198
39721198

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Popular Name: (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dichlorophenoxy)acetamide (NZ)-N-(4-chloro-3-methyl-1,3-be…

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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) 6.26 9.86 -12.23 0 4 0 44 401.702 3 ↓

Analogs

39721198
39721198
12032936
12032936
8956654
8956654

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Popular Name: (NZ)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxy-acetamide (NZ)-N-(4-chloro-3-methyl-1,3-be…

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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) 4.98 -0.6 -12.11 0 4 0 44 332.812 3 ↓

Parameters Provided:

ring.id = 81645
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 = 81645 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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