UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

27232874
27232874
6809909
6809909
1063541
1063541

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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) 4.88 12.62 -17.69 0 5 0 60 373.408 5 ↓

Analogs

8382025
8382025
351957
351957
1105732
1105732

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Popular Name: 2-benzo[e]benzofuran-1-yl-N-(2-chlorophenyl)-N-methyl-acetamide 2-benzo[e]benzofuran-1-yl-N-(2-c…

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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) 5.21 12.23 -15.3 0 3 0 33 349.817 3 ↓

Analogs

39882608
39882608
39893081
39893081
39893322
39893322

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Popular Name: N-methyl-2-naphtho[2,1-b]furan-1-yl-N-phenylacetamide N-methyl-2-naphtho[2,1-b]furan-1…

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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) 4.58 2.76 -15.74 0 3 0 33 315.372 3 ↓

Analogs

6496528
6496528
6536455
6536455
8382025
8382025
39882471
39882471
39882482
39882482

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Popular Name: N-(2-chlorophenyl)-2-naphtho[2,1-b]furan-1-ylacetamide N-(2-chlorophenyl)-2-naphtho[2,1…

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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) 4.96 1.13 -12.98 1 3 0 42 335.79 3 ↓

Analogs

6302762
6302762
6328963
6328963
6538673
6538673
39882395
39882395
39882401
39882401

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Popular Name: N-(4-methoxyphenyl)-2-naphtho[2,1-b]furan-1-ylacetamide N-(4-methoxyphenyl)-2-naphtho[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) 4.39 1.11 -16.72 1 4 0 51 331.371 4 ↓

Analogs

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Popular Name: 2-benzo[e]benzofuran-1-yl-N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]acetamide 2-benzo[e]benzofuran-1-yl-N-[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) 4.02 8.12 -19.54 1 6 0 80 422.506 5 ↓

Analogs

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Popular Name: 2-benzo[e]benzofuran-1-yl-N-(4-ethylsulfonylphenyl)acetamide 2-benzo[e]benzofuran-1-yl-N-(4-e…

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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 8.06 -23.55 1 5 0 76 393.464 5 ↓

Parameters Provided:

ring.id = 4168
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 = 4168 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4168&filter.purchasability=annotated

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