UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)benzofuran-2-carboxamide 5-chloro-N-(6-nitro-1,3-benzothi…

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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) 4.54 9.23 -10.36 1 7 0 101 373.777 3 ↓

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-benzofuran-2-carboxamide N-(1,3-benzothiazol-2-yl)-5-ethy…

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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) 5.22 10.13 -12.01 1 4 0 55 336.416 3 ↓

Analogs

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Popular Name: 5-ethyl-3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzofuran-2-carboxamide 5-ethyl-3-methyl-N-(6-nitro-1,3-…

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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) 5.15 10.84 -10.16 1 7 0 101 381.413 4 ↓

Analogs

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Popular Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-benzofuran-2-carboxamide N-(4,6-dimethyl-1,3-benzothiazol…

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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 11.17 -9.26 1 4 0 55 364.47 3 ↓

Analogs

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Popular Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)benzofuran-2-carboxamide N-(4-methoxy-1,3-benzothiazol-2-…

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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) 3.84 6.72 -14.3 1 6 0 74 368.414 5 ↓

Analogs

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Popular Name: 5-methoxy-3-methyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzofuran-2-carboxamide 5-methoxy-3-methyl-N-(6-sulfamoy…

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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) 3.03 2.92 -17.45 3 8 0 125 417.468 4 ↓

Analogs

6342763
6342763
39874888
39874888
39874893
39874893
39874894
39874894
39874895
39874895

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Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(methylthio)methyl]coumarilamide N-(6-methyl-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) 4.80 -0.58 -12.93 1 4 0 55 368.483 4 ↓

Analogs

39897674
39897674

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Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)coumarilamide N-(6-methyl-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) 4.37 -0.55 -12.35 1 4 0 55 308.362 2 ↓

Analogs

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Popular Name: N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-(methoxymethyl)benzofuran-2-carboxamide N-(5,6-difluoro-1,3-benzothiazol…

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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) 4.06 7.87 -11.65 1 5 0 64 374.368 4 ↓

Analogs

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Popular Name: 7-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzofuran-2-carboxamide 7-methyl-N-(6-methylsulfonyl-1,3…

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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) 3.20 6.2 -18.57 1 6 0 89 386.454 3 ↓

Parameters Provided:

ring.id = 129851
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 = 129851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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